SpectraBase Spectrum ID |
638ePfZEg3n |
Name |
Clomipramine-M (Bisnor -OH) 2AC |
Classification |
Pharmaceutical drug metabolite derivative |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
386.139720306 u |
Formula |
C21H23ClN2O3 |
InChI |
InChI=1S/C21H23ClN2O3/c1-14(25)23-10-3-11-24-20-9-8-19(27-15(2)26)12-17(20)5-4-16-6-7-18(22)13-21(16)24/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,23,25) |
InChIKey |
JQOZMNIMZYZONV-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
386.879 g/mol |
Nominal Mass |
386 u |
Quality |
928 |
Retention Index |
2990 |
SMILES |
C=12N(C3=C(CCC2=CC(=CC1)OC(=O)C)C=CC(=C3)Cl)CCCNC(=O)C |
SPLASH |
splash10-0zfr-4694000000-fcccb5b108d120279c21 |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
5-(3-(acetylamino)propyl)-7-chloro-10,11-dihydro-5H-dibenzo[b,f]azepin-2-yl acetate |
Technique |
GC/MS |
Wiley ID |
DD2024_006284 |