| SpectraBase Spectrum ID |
FkKt1I7f50n |
| Name |
Clomipramine |
| CAS Registry Number |
303-49-1 |
| Collision Energy |
45 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
314.154976449 u |
| Formula |
C19H23ClN2 |
| InChI |
InChI=1S/C19H23ClN2/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3 |
| InChIKey |
GDLIGKIOYRNHDA-UHFFFAOYSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
P |
| Ionization Type |
ESI+ |
| Molecular Weight |
314.860 g/mol |
| Nominal Mass |
314 u |
| Precursor Ion |
[M+H]+ |
| Precursor m/z |
315.162 |
| SMILES |
C1(Cl)=CC=2N(CCCN(C)C)C=3C(CCC2C=C1)=CC=CC3 |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_+_229.8 |
