| SpectraBase Spectrum ID |
2kLltKCl7OC |
| Name |
Pentoxifylline-M (2OH) 2AC II |
| Classification |
Pharmaceutical drug metabolite derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
380.169584503 u |
| Formula |
C17H24N4O6 |
| InChI |
InChI=1S/C17H24N4O6/c1-10(26-11(2)22)8-13(27-12(3)23)6-7-21-16(24)14-15(18-9-19(14)4)20(5)17(21)25/h9-10,13H,6-8H2,1-5H3 |
| InChIKey |
MLTQSNVGXSKBIV-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
380.401 g/mol |
| Nominal Mass |
380 u |
| Quality |
933 |
| Retention Index |
3010 |
| SMILES |
C12=C(N(C(N(C2=O)CCC(CC(OC(=O)C)C)OC(=O)C)=O)C)N=CN1C |
| SPLASH |
splash10-001i-1940000000-507b4be6687fb087eb14 |
| Sample Comments |
Structure uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
4-(acetyloxy)-6-(3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)hexan-2-yl acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_007834 |
