CID 50988917

5-(chloromethyl)-4h,7h-pyrazolo[1,5-a]pyrimidin-7-one

Structural Information

Molecular Formula
C7H6ClN3O
SMILES
C1=CNN2C1=NC(=CC2=O)CCl
InChI
InChI=1S/C7H6ClN3O/c8-4-5-3-7(12)11-6(10-5)1-2-9-11/h1-3,9H,4H2
InChIKey
AJTAVFSWJIJWLN-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

183.01994 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.027216 132.4
[M+Na]+ 206.009158 145.5
[M-H]- 182.012664 132.4
[M+NH4]+ 201.053763 151.8
[M+K]+ 221.983098 140.2
[M+H-H2O]+ 166.017200 125.6
[M+HCOO]- 228.018141 149.9
[M+CH3COO]- 242.033791 146.3
[M+Na-2H]- 203.994606 140.6
[M]+ 183.01939142 135.5
[M]- 183.02048858 135.5
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

patents stripe