| SpectraBase Spectrum ID |
JIdMQy9SkyG |
| Name |
Cilazapril-A (desethyl) 2ME |
| Classification |
Pharmaceutical drug artifact |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
417.226371105 u |
| Formula |
C22H31N3O5 |
| InChI |
InChI=1S/C22H31N3O5/c1-29-21(27)18(13-12-16-8-4-3-5-9-16)23-17-10-6-14-24-15-7-11-19(22(28)30-2)25(24)20(17)26/h3-5,8-9,17-19,23H,6-7,10-15H2,1-2H3 |
| InChIKey |
JUGXDRBKZQZEFU-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
417.506 g/mol |
| Nominal Mass |
417 u |
| Quality |
923 |
| Retention Index |
3305 |
| SMILES |
C1(N2N(CCCC1NC(C(OC)=O)CCC=1C=CC=CC1)CCCC2C(OC)=O)=O |
| SPLASH |
splash10-0a59-3930000000-2362e531b357f8a9771b |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
methyl 9-((1-methoxy-1-oxo-4-phenylbutan-2-yl)amino)-10-oxooctahydro-6H-pyridazino[1,2-a]\r[1,2]diazepine-1-carboxylate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_007851 |
