| SpectraBase Compound ID | 9TUMBZyxsOa |
|---|---|
| InChI | InChI=1S/C22H31N3O5.H2O/c1-2-30-22(29)18(13-12-16-8-4-3-5-9-16)23-17-10-6-14-24-15-7-11-19(21(27)28)25(24)20(17)26;/h3-5,8-9,17-19,23H,2,6-7,10-15H2,1H3,(H,27,28);1H2/t17-,18-,19-;/m0./s1 |
| InChIKey | JQRZBPFGBRIWSN-YOTVLOEGSA-N |
| Mol Weight | 435.52 g/mol |
| Molecular Formula | C22H33N3O6 |
| Exact Mass | 435.236936 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BsI7JOwuGFo |
|---|---|
| Name | Cilazapril breakdown |
| Copyright | Copyright © 2012-2024 John Wiley & Sons, Inc. Portions provided by AAFS, Toxicology Section. All Rights Reserved. |
| Formula | C22H33N3O6 |
| InChI | InChI=1S/C22H31N3O5.H2O/c1-2-30-22(29)18(13-12-16-8-4-3-5-9-16)23-17-10-6-14-24-15-7-11-19(21(27)28)25(24)20(17)26;/h3-5,8-9,17-19,23H,2,6-7,10-15H2,1H3,(H,27,28);1H2/t17-,18-,19-;/m0./s1 |
| InChIKey | JQRZBPFGBRIWSN-YOTVLOEGSA-N |
| SMILES | O.N([C@]1(CCCN2CCC[C@@](C(=O)O)(N2C1=O)[H])[H])[C@@](CCc1ccccc1)(C(OCC)=O)[H] |
| SPLASH | splash10-000x-9700000000-d92d1682f589eee15b53 |
| Source of Spectrum | Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences |