CID 729246

1h-imidazo[4,5-b]pyridine-2-thiol

Structural Information

Molecular Formula
C6H5N3S
SMILES
C1=CC2=C(NC(=S)N2)N=C1
InChI
InChI=1S/C6H5N3S/c10-6-8-4-2-1-3-7-5(4)9-6/h1-3H,(H2,7,8,9,10)
InChIKey
ZLYRPVTXHARSPL-UHFFFAOYSA-N
Compound name
1,3-dihydroimidazo[4,5-b]pyridine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

382
Patents

151.02042 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.027696 125.4
[M+Na]+ 174.009638 138.0
[M-H]- 150.013144 124.7
[M+NH4]+ 169.054243 145.3
[M+K]+ 189.983578 132.5
[M+H-H2O]+ 134.017680 119.7
[M+HCOO]- 196.018621 141.5
[M+CH3COO]- 210.034271 139.1
[M+Na-2H]- 171.995086 131.6
[M]+ 151.01987142 125.4
[M]- 151.02096858 125.4
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