| SpectraBase Spectrum ID |
KnMG9FAUVK9 |
| Name |
Trimethoprim-M (3O-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(21)13(23-3)12(6-9)22-2/h5-7,21H,4H2,1-3H3,(H3,16,17,18,19,20) |
| InChIKey |
JJQMRYUBKGEFFU-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
318.333 g/mol |
| Nominal Mass |
318 u |
| Quality |
898 |
| Retention Index |
2634 |
| SMILES |
OC=1C(=C(C=C(CC=2C(=NC(=NC2)NC(=O)C)N)C1)OC)OC |
| SPLASH |
splash10-0i00-0396000000-68951e4734693fcbda7d |
| Sample Comments |
Structure uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
N-(4-amino-5-(3-hydroxy-4,5-dimethoxybenzyl)pyrimidin-2-yl)acetamide |
| Technique |
GC/MS |
| Wiley ID |
DD2024_004136 |
