CID 40151908

5-bromo-3-methyl-1h-pyrazolo[3,4-b]pyridine

Structural Information

Molecular Formula
C7H6BrN3
SMILES
CC1=C2C=C(C=NC2=NN1)Br
InChI
InChI=1S/C7H6BrN3/c1-4-6-2-5(8)3-9-7(6)11-10-4/h2-3H,1H3,(H,9,10,11)
InChIKey
NHGRQAMIQCHTFI-UHFFFAOYSA-N
Compound name
5-bromo-3-methyl-2H-pyrazolo[3,4-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

187
Patents

210.9745 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.981776 133.5
[M+Na]+ 233.963718 148.8
[M-H]- 209.967224 136.9
[M+NH4]+ 229.008323 154.9
[M+K]+ 249.937658 137.0
[M+H-H2O]+ 193.971760 133.3
[M+HCOO]- 255.972701 153.4
[M+CH3COO]- 269.988351 149.4
[M+Na-2H]- 231.949166 143.4
[M]+ 210.97395142 153.0
[M]- 210.97504858 153.0
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