| SpectraBase Spectrum ID |
BH9pkZ8cFX4 |
| Name |
Cetirizine |
| CAS Registry Number |
83881-51-0 |
| Collision Energy |
25 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
388.155370370 u |
| Formula |
C21H25ClN2O3 |
| InChI |
InChI=1S/C21H25ClN2O3/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26/h1-9,21H,10-16H2,(H,25,26) |
| InChIKey |
ZKLPARSLTMPFCP-UHFFFAOYSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
P |
| Ionization Type |
ESI+ |
| Molecular Weight |
388.895 g/mol |
| Nominal Mass |
388 u |
| Precursor Ion |
[M+H]+ |
| Precursor m/z |
389.163 |
| SMILES |
OC(=O)COCCN1CCN(CC1)C(C1=CC=C(Cl)C=C1)C1=CC=CC=C1 |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetic acid |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_+_183.4 |
