| SpectraBase Spectrum ID |
LpRYrflndub |
| Name |
Celiprolol |
| CAS Registry Number |
56980-93-9 |
| Collision Energy |
45 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
379.247106551 u |
| Formula |
C20H33N3O4 |
| InChI |
InChI=1S/C20H33N3O4/c1-7-23(8-2)19(26)22-15-9-10-18(17(11-15)14(3)24)27-13-16(25)12-21-20(4,5)6/h9-11,16,21,25H,7-8,12-13H2,1-6H3,(H,22,26) |
| InChIKey |
JOATXPAWOHTVSZ-UHFFFAOYSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
P |
| Ionization Type |
ESI+ |
| Molecular Weight |
379.501 g/mol |
| Nominal Mass |
379 u |
| Precursor Ion |
[M+H]+ |
| Precursor m/z |
380.254 |
| SMILES |
OC(COC1=C(C=C(NC(=O)N(CC)CC)C=C1)C(=O)C)CNC(C)(C)C |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
3-[3-acetyl-4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-1,1-diethylurea |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_+_179.17 |
