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

8
Patents

183.01994 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.02722 132.4
[M+Na]+ 206.00916 145.5
[M-H]- 182.01266 132.4
[M+NH4]+ 201.05376 151.8
[M+K]+ 221.98310 140.2
[M+H-H2O]+ 166.01720 125.6
[M+HCOO]- 228.01814 149.9
[M+CH3COO]- 242.03379 146.3
[M+Na-2H]- 203.99461 140.6
[M]+ 183.01939 135.5
[M]- 183.02049 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