CID 83678939

3-bromo-4h-pyrazolo[1,5-a]pyrimidin-7-one

Structural Information

Molecular Formula
C6H4BrN3O
SMILES
C1=CN=C2C(=CNN2C1=O)Br
InChI
InChI=1S/C6H4BrN3O/c7-4-3-9-10-5(11)1-2-8-6(4)10/h1-3,9H
InChIKey
UAJJYMQEJMKBCQ-UHFFFAOYSA-N
Compound name
3-bromo-1H-pyrazolo[1,5-a]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

212.95377 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.961046 130.7
[M+Na]+ 235.942988 146.4
[M-H]- 211.946494 134.1
[M+NH4]+ 230.987593 151.8
[M+K]+ 251.916928 134.8
[M+H-H2O]+ 195.951030 130.5
[M+HCOO]- 257.951971 151.2
[M+CH3COO]- 271.967621 146.8
[M+Na-2H]- 233.928436 141.1
[M]+ 212.95322142 150.4
[M]- 212.95431858 150.4
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