CID 135702816
135446-00-3
Structural Information
- Molecular Formula
- C15H14N6O
- SMILES
- CCCN1C2=C(C3=NN=C(N3C1=O)C4=CC=CC=C4)NC=N2
- InChI
- InChI=1S/C15H14N6O/c1-2-8-20-13-11(16-9-17-13)14-19-18-12(21(14)15(20)22)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,16,17)
- InChIKey
- PKWLRDDORJNIGI-UHFFFAOYSA-N
- Compound name
- 3-phenyl-6-propyl-9H-[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]+ | 295.13018 | 168.7 |
[M+Na]+ | 317.11212 | 182.7 |
[M-H]- | 293.11562 | 170.5 |
[M+NH4]+ | 312.15672 | 181.3 |
[M+K]+ | 333.08606 | 175.1 |
[M+H-H2O]+ | 277.12016 | 158.5 |
[M+HCOO]- | 339.12110 | 187.2 |
[M+CH3COO]- | 353.13675 | 180.0 |
[M+Na-2H]- | 315.09757 | 173.7 |
[M]+ | 294.12235 | 173.5 |
[M]- | 294.12345 | 173.5 |
Literature stripe
No literature data available for this compound.