CID 3069975
3-(2,3-dihydroxypropyl)-1,8-dimethyl-7-phenyl-1h-imidazo(2,1-f)purine-2,4(3h,8h)-dione
Structural Information
- Molecular Formula
- C18H19N5O4
- SMILES
- CN1C(=CN2C1=NC3=C2C(=O)N(C(=O)N3C)CC(CO)O)C4=CC=CC=C4
- InChI
- InChI=1S/C18H19N5O4/c1-20-13(11-6-4-3-5-7-11)9-22-14-15(19-17(20)22)21(2)18(27)23(16(14)26)8-12(25)10-24/h3-7,9,12,24-25H,8,10H2,1-2H3
- InChIKey
- DLUMLWYSJBPYEP-UHFFFAOYSA-N
- Compound name
- 2-(2,3-dihydroxypropyl)-4,6-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 370.15098 | 187.4 |
[M+Na]+ | 392.13292 | 201.0 |
[M-H]- | 368.13642 | 190.2 |
[M+NH4]+ | 387.17752 | 198.0 |
[M+K]+ | 408.10686 | 194.6 |
[M+H-H2O]+ | 352.14096 | 178.7 |
[M+HCOO]- | 414.14190 | 204.2 |
[M+CH3COO]- | 428.15755 | 197.8 |
[M+Na-2H]- | 390.11837 | 187.9 |
[M]+ | 369.14315 | 195.0 |
[M]- | 369.14425 | 195.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.