CID 9834334

405224-24-0

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

157
Patents

211.96976 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.97704 139.5
[M+Na]+ 234.95898 143.1
[M+NH4]+ 230.00358 143.8
[M+K]+ 250.93292 144.9
[M-H]- 210.96248 138.9
[M+Na-2H]- 232.94443 142.5
[M]+ 211.96921 138.5
[M]- 211.97031 138.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe