| SpectraBase Spectrum ID |
BcbMvxBO287 |
| Name |
Gliquidone |
| CAS Registry Number |
33342-05-1 |
| Collision Energy |
25 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
527.209006963 u |
| Formula |
C27H33N3O6S |
| InChI |
InChI=1S/C27H33N3O6S/c1-27(2)23-14-11-20(36-3)17-22(23)24(31)30(25(27)32)16-15-18-9-12-21(13-10-18)37(34,35)29-26(33)28-19-7-5-4-6-8-19/h9-14,17,19H,4-8,15-16H2,1-3H3,(H2,28,29,33) |
| InChIKey |
LLJFMFZYVVLQKT-UHFFFAOYSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
P |
| Ionization Type |
ESI+ |
| Molecular Weight |
527.636 g/mol |
| Nominal Mass |
527 u |
| Precursor Ion |
[M+H]+ |
| Precursor m/z |
528.216 |
| SMILES |
N(S(=O)(=O)C1=CC=C(CCN2C(=O)C(C3=C(C2=O)C=C(OC)C=C3)(C)C)C=C1)C(=O)NC1CCCCC1 |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
1-cyclohexyl-3-[4-[2-(7-methoxy-4,4-dimethyl-1,3-dioxoisoquinolin-2-yl)ethyl]phenyl]sulfonylurea |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_+_389.4 |
