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

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.10587 Da
Monoisotopic Mass

1.1
XlogP (predicted)

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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.