| SpectraBase Spectrum ID |
2mgux5aFoga |
| Name |
Trimethoprim-M (4O-desmethyl) AC |
| Classification |
Drug metabolite |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
318.132805072 u |
| Formula |
C15H18N4O4 |
| InChI |
InChI=1S/C15H18N4O4/c1-8(20)18-15-17-7-10(14(16)19-15)4-9-5-11(22-2)13(21)12(6-9)23-3/h5-7,21H,4H2,1-3H3,(H3,16,17,18,19,20) |
| InChIKey |
KIDIMCNNIRKNKM-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
318.333 g/mol |
| Nominal Mass |
318 u |
| Quality |
916 |
| Retention Index |
2634 |
| SMILES |
OC=1C(=CC(CC=2C(=NC(=NC2)NC(=O)C)N)=CC1OC)OC |
| SPLASH |
splash10-004i-1390000000-e16aa1d122e339118c3d |
| Sample Comments |
Structure uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
N-(4-amino-5-(4-hydroxy-3,5-dimethoxybenzyl)pyrimidin-2-yl)acetamide |
| Technique |
GC/MS |
| Wiley ID |
DD2024_004137 |
