| SpectraBase Spectrum ID |
5446NDry9Q |
| Name |
Pentoxifylline-M (aliphatic OH) |
| Classification |
Pharmaceutical drug metabolite |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
280.153540517 u |
| Formula |
C13H20N4O3 |
| InChI |
InChI=1S/C13H20N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8-9,18H,4-7H2,1-3H3 |
| InChIKey |
NSMXQKNUPPXBRG-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
280.328 g/mol |
| Nominal Mass |
280 u |
| Quality |
993 |
| Retention Index |
2307 |
| SMILES |
OC(CCCCN1C(C2=C(N(C1=O)C)N=CN2C)=O)C |
| SPLASH |
splash10-001i-2920000000-36ab5535774d0f57741c |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-(5-hydroxyhexyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Technique |
GC/MS |
| Wiley ID |
DD2024_008468 |
