CID 137935534

2248334-62-3

Structural Information

Molecular Formula
C9H10ClN3O
SMILES
CC1=C(NN2C1=NC(=CC2=O)CCl)C
InChI
InChI=1S/C9H10ClN3O/c1-5-6(2)12-13-8(14)3-7(4-10)11-9(5)13/h3,12H,4H2,1-2H3
InChIKey
CQMPMFLZLFHCLX-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-2,3-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.05124 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.058516 142.1
[M+Na]+ 234.040458 156.2
[M-H]- 210.043964 142.6
[M+NH4]+ 229.085063 161.0
[M+K]+ 250.014398 150.3
[M+H-H2O]+ 194.048500 135.6
[M+HCOO]- 256.049441 158.9
[M+CH3COO]- 270.065091 155.9
[M+Na-2H]- 232.025906 147.7
[M]+ 211.05069142 146.7
[M]- 211.05178858 146.7
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.