| SpectraBase Spectrum ID |
DoPypr4MohU |
| Name |
Lisofylline AC |
| Classification |
Pharmaceutical drug metabolite derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
322.164105200 u |
| Formula |
C15H22N4O4 |
| InChI |
InChI=1S/C15H22N4O4/c1-10(23-11(2)20)7-5-6-8-19-14(21)12-13(16-9-17(12)3)18(4)15(19)22/h9-10H,5-8H2,1-4H3/t10-/m1/s1 |
| InChIKey |
NLTCMPQBQCXKHK-SNVBAGLBSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
322.365 g/mol |
| Nominal Mass |
322 u |
| Quality |
872 |
| Retention Index |
2604 |
| SMILES |
C12=C(N(C(N(C2=O)CCCC[C@](OC(=O)C)(C)[H])=O)C)N=CN1C |
| SPLASH |
splash10-001i-3920000000-05a396e02fae98466fb5 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Pentoxifylline-M/AC
(2R)-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_008761 |
