CID 112756548

6-bromo-1h-pyrazolo[3,4-b]pyridin-3-amine

Structural Information

Molecular Formula
C6H5BrN4
SMILES
C1=CC(=NC2=NNC(=C21)N)Br
InChI
InChI=1S/C6H5BrN4/c7-4-2-1-3-5(8)10-11-6(3)9-4/h1-2H,(H3,8,9,10,11)
InChIKey
VPJOHTPDOPQINJ-UHFFFAOYSA-N
Compound name
6-bromo-2H-pyrazolo[3,4-b]pyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

211.96976 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.977036 132.6
[M+Na]+ 234.958978 147.3
[M-H]- 210.962484 135.5
[M+NH4]+ 230.003583 153.2
[M+K]+ 250.932918 134.9
[M+H-H2O]+ 194.967020 131.7
[M+HCOO]- 256.967961 153.1
[M+CH3COO]- 270.983611 148.0
[M+Na-2H]- 232.944426 142.5
[M]+ 211.96921142 150.1
[M]- 211.97030858 150.1
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