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]+ 168.113146 137.2
[M+Na]+ 190.095088 146.7
[M-H]- 166.098594 135.3
[M+NH4]+ 185.139693 155.8
[M+K]+ 206.069028 142.5
[M+H-H2O]+ 150.103130 130.5
[M+HCOO]- 212.104071 153.2
[M+CH3COO]- 226.119721 149.1
[M+Na-2H]- 188.080536 141.0
[M]+ 167.10532142 133.2
[M]- 167.10641858 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.