CID 911730

6-bromo-3h-imidazo[4,5-b]pyridine-2-thiol

Structural Information

Molecular Formula
C6H4BrN3S
SMILES
C1=C(C=NC2=C1NC(=S)N2)Br
InChI
InChI=1S/C6H4BrN3S/c7-3-1-4-5(8-2-3)10-6(11)9-4/h1-2H,(H2,8,9,10,11)
InChIKey
AOLQXGYCKFKIPQ-UHFFFAOYSA-N
Compound name
6-bromo-1,3-dihydroimidazo[4,5-b]pyridine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

71
Patents

228.93092 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.93820 127.4
[M+Na]+ 251.92014 144.1
[M-H]- 227.92364 130.1
[M+NH4]+ 246.96474 148.5
[M+K]+ 267.89408 130.3
[M+H-H2O]+ 211.92818 128.7
[M+HCOO]- 273.92912 142.0
[M+CH3COO]- 287.94477 143.2
[M+Na-2H]- 249.90559 135.1
[M]+ 228.93037 146.7
[M]- 228.93147 146.7
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