SpectraBase Spectrum ID |
2nSt8oTP2FE |
Name |
Timolol-M/A (des-tert-butyl,-H2O) AC |
Classification |
Pharmaceutical drug metabolite derivative |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
284.094311562 u |
Formula |
C11H16N4O3S |
InChI |
InChI=1S/C11H16N4O3S/c1-9(16)12-3-2-6-18-11-10(13-19-14-11)15-4-7-17-8-5-15/h2,6H,3-5,7-8H2,1H3,(H,12,16)/b6-2+ |
InChIKey |
NURGCQUJJOEAAT-QHHAFSJGSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
284.334 g/mol |
Nominal Mass |
284 u |
Quality |
917 |
Retention Index |
2325 |
SMILES |
C=1(C(=NSN1)O\C=C\CNC(=O)C)N1CCOCC1 |
SPLASH |
splash10-0a4i-4920000000-c2411afd3351eceec7a3 |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
N-(3-((4-(morpholin-4-yl)-1,2,5-thiadiazol-3-yl)oxy)prop-2-en-1-yl)acetamide |
Technique |
GC/MS |
Wiley ID |
DD2024_007981 |