CID 58227765

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

Structural Information

Molecular Formula
C7H6BrN3O
SMILES
CN1C2=C(C=C(C=N2)Br)C(=O)N1
InChI
InChI=1S/C7H6BrN3O/c1-11-6-5(7(12)10-11)2-4(8)3-9-6/h2-3H,1H3,(H,10,12)
InChIKey
NBFRMKMCTFFODR-UHFFFAOYSA-N
Compound name
5-bromo-1-methyl-2H-pyrazolo[3,4-b]pyridin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

226.96942 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.97670 142.3
[M+Na]+ 249.95864 147.0
[M+NH4]+ 245.00324 146.3
[M+K]+ 265.93258 148.5
[M-H]- 225.96214 141.0
[M+Na-2H]- 247.94409 144.9
[M]+ 226.96887 141.3
[M]- 226.96997 141.3
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