CID 3077745
5h-1,2,4-triazolo(3,4-i)purin-5-one, 6,9-dihydro-3,9-dimethyl-6-propyl-
Structural Information
- Molecular Formula
- C11H14N6O
- SMILES
- CCCN1C2=C(C3=NN=C(N3C1=O)C)N(C=N2)C
- InChI
- InChI=1S/C11H14N6O/c1-4-5-16-9-8(15(3)6-12-9)10-14-13-7(2)17(10)11(16)18/h6H,4-5H2,1-3H3
- InChIKey
- FVTULCWPOGTEAN-UHFFFAOYSA-N
- Compound name
- 3,9-dimethyl-6-propyl-[1,2,4]triazolo[3,4-f]purin-5-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 247.13019 | 157.6 |
[M+Na]+ | 269.11213 | 173.6 |
[M-H]- | 245.11563 | 157.8 |
[M+NH4]+ | 264.15673 | 173.8 |
[M+K]+ | 285.08607 | 168.5 |
[M+H-H2O]+ | 229.12017 | 148.9 |
[M+HCOO]- | 291.12111 | 177.7 |
[M+CH3COO]- | 305.13676 | 170.7 |
[M+Na-2H]- | 267.09758 | 162.2 |
[M]+ | 246.12236 | 165.8 |
[M]- | 246.12346 | 165.8 |
Literature stripe
No literature data available for this compound.