CID 121228871

1357946-38-3

Structural Information

Molecular Formula
C7H6BrN3O
SMILES
COC1=NC2=C(NN=C2C=C1)Br
InChI
InChI=1S/C7H6BrN3O/c1-12-5-3-2-4-6(9-5)7(8)11-10-4/h2-3H,1H3,(H,10,11)
InChIKey
YQPBFXROBAMOBB-UHFFFAOYSA-N
Compound name
3-bromo-5-methoxy-2H-pyrazolo[4,3-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.96942 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.97670 136.1
[M+Na]+ 249.95864 151.1
[M-H]- 225.96214 139.4
[M+NH4]+ 245.00324 156.7
[M+K]+ 265.93258 139.8
[M+H-H2O]+ 209.96668 135.7
[M+HCOO]- 271.96762 156.1
[M+CH3COO]- 285.98327 151.7
[M+Na-2H]- 247.94409 146.0
[M]+ 226.96887 156.8
[M]- 226.96997 156.8
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.