CID 3182
Dyphylline
Structural Information
- Molecular Formula
- C10H14N4O4
- SMILES
- CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CO)O
- InChI
- InChI=1S/C10H14N4O4/c1-12-8-7(9(17)13(2)10(12)18)14(5-11-8)3-6(16)4-15/h5-6,15-16H,3-4H2,1-2H3
- InChIKey
- KSCFJBIXMNOVSH-UHFFFAOYSA-N
- Compound name
- 7-(2,3-dihydroxypropyl)-1,3-dimethylpurine-2,6-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 255.10878 | 154.5 |
[M+Na]+ | 277.09072 | 167.3 |
[M-H]- | 253.09422 | 153.1 |
[M+NH4]+ | 272.13532 | 168.5 |
[M+K]+ | 293.06466 | 163.4 |
[M+H-H2O]+ | 237.09876 | 147.1 |
[M+HCOO]- | 299.09970 | 172.4 |
[M+CH3COO]- | 313.11535 | 191.6 |
[M+Na-2H]- | 275.07617 | 157.7 |
[M]+ | 254.10095 | 159.7 |
[M]- | 254.10205 | 159.7 |