CID 121552517

5-bromo-2-methyl-1h,2h,3h-pyrazolo[3,4-b]pyridin-3-one

Structural Information

Molecular Formula
C7H6BrN3O
SMILES
CN1C(=O)C2=C(N1)N=CC(=C2)Br
InChI
InChI=1S/C7H6BrN3O/c1-11-7(12)5-2-4(8)3-9-6(5)10-11/h2-3H,1H3,(H,9,10)
InChIKey
KPPLGANHODHPFZ-UHFFFAOYSA-N
Compound name
5-bromo-2-methyl-1H-pyrazolo[3,4-b]pyridin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.96942 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.97670 135.3
[M+Na]+ 249.95864 151.5
[M-H]- 225.96214 139.0
[M+NH4]+ 245.00324 156.2
[M+K]+ 265.93258 139.6
[M+H-H2O]+ 209.96668 135.2
[M+HCOO]- 271.96762 155.5
[M+CH3COO]- 285.98327 151.4
[M+Na-2H]- 247.94409 144.5
[M]+ 226.96887 155.7
[M]- 226.96997 155.7
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.