EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C23H22BrN2O |
| Net Charge | +1 |
| Average Mass | 422.346 |
| Monoisotopic Mass | 421.09100 |
| SMILES | COc1ccc(-c2c[n+]3c4n2CCCCC4=C(c2ccc(Br)cc2)C3)cc1 |
| InChI | InChI=1S/C23H22BrN2O/c1-27-19-11-7-17(8-12-19)22-15-25-14-21(16-5-9-18(24)10-6-16)20-4-2-3-13-26(22)23(20)25/h5-12,15H,2-4,13-14H2,1H3/q+1 |
| InChIKey | JBZPLGMTBVEFIZ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-15190 (CHEBI:103840) is a imidazoles (CHEBI:24780) |
| Manual Xrefs | Databases |
|---|---|
| LSM-15190 | LINCS |