CID 52420501
Rac-(5r,7s)-5,7-dimethyl-1h,2h,4h,5h,6h,7h-pyrazolo[1,5-a]pyrimidin-2-one
Structural Information
- Molecular Formula
- C8H13N3O
- SMILES
- C[C@@H]1C[C@@H](N2C(=CC(=O)N2)N1)C
- InChI
- InChI=1S/C8H13N3O/c1-5-3-6(2)11-7(9-5)4-8(12)10-11/h4-6,9H,3H2,1-2H3,(H,10,12)/t5-,6+/m1/s1
- InChIKey
- NAKGVVXLLRPXJL-RITPCOANSA-N
- Compound name
- (5R,7S)-5,7-dimethyl-4,5,6,7-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-2-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 168.11315 | 137.2 |
[M+Na]+ | 190.09509 | 146.7 |
[M-H]- | 166.09859 | 135.3 |
[M+NH4]+ | 185.13969 | 155.8 |
[M+K]+ | 206.06903 | 142.5 |
[M+H-H2O]+ | 150.10313 | 130.5 |
[M+HCOO]- | 212.10407 | 153.2 |
[M+CH3COO]- | 226.11972 | 149.1 |
[M+Na-2H]- | 188.08054 | 141.0 |
[M]+ | 167.10532 | 133.2 |
[M]- | 167.10642 | 133.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.