CID 122173275

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

Structural Information

Molecular Formula
C7H3BrN4
SMILES
C1=CC2=NNC(=C2N=C1C#N)Br
InChI
InChI=1S/C7H3BrN4/c8-7-6-5(11-12-7)2-1-4(3-9)10-6/h1-2H,(H,11,12)
InChIKey
ZOQLWKIWJZDDNL-UHFFFAOYSA-N
Compound name
3-bromo-2H-pyrazolo[4,3-b]pyridine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.95412 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.961396 132.6
[M+Na]+ 244.943338 148.7
[M-H]- 220.946844 133.2
[M+NH4]+ 239.987943 150.7
[M+K]+ 260.917278 136.0
[M+H-H2O]+ 204.951380 124.5
[M+HCOO]- 266.952321 150.8
[M+CH3COO]- 280.967971 146.1
[M+Na-2H]- 242.928786 141.6
[M]+ 221.95357142 144.7
[M]- 221.95466858 144.7
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.