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ChEBI
> Main
CHEBI:91077 - PD-153035(1+)
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ChEBI Name
PD-153035(1+)
ChEBI ID
CHEBI:91077
Definition
An organic cation obtained by protonation of the secondary amino function of PD-153035.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C16H15BrN3O2
Net Charge
+1
Average Mass
361.213
Monoisotopic Mass
360.03422
InChI
InChI=1S/C16H14BrN3O2/c1-
21-
14-
7-
12-
13(8-
15(14)
22-
2)
18-
9-
19-
16(12)
20-
11-
5-
3-
4-
10(17)
6-
11/h3-
9H,1-
2H3,(H,18,19,20)
/p+1
InChIKey
LSPANGZZENHZNJ-UHFFFAOYSA-O
SMILES
N1=C2C(=C(N=C1)[NH2+]C3=CC=CC(=C3)Br)C=C(C(=C2)OC)OC
ChEBI Ontology
Outgoing
PD-153035(1+) (
CHEBI:91077
)
is a
ammonium ion derivative (
CHEBI:35274
)
PD-153035(1+) (
CHEBI:91077
)
is a
organic cation (
CHEBI:25697
)
PD-153035(1+) (
CHEBI:91077
)
is conjugate acid of
PD-153035 (
CHEBI:91076
)
Incoming
PD-153035 hydrochloride (
CHEBI:91075
)
has part
PD-153035(1+) (
CHEBI:91077
)
PD-153035 (
CHEBI:91076
)
is conjugate base of
PD-153035(1+) (
CHEBI:91077
)
IUPAC Name
N
-(3-bromophenyl)-6,7-dimethoxyquinazolin-4-aminium
Synonym
Source
PD-153035 cation
ChEBI
Last Modified
03 February 2016