CID 3001336

1-methylimidazo[4,5-b]pyridine-2-carbothioamide

Structural Information

Molecular Formula
C8H8N4S
SMILES
CN1C2=C(N=CC=C2)N=C1C(=S)N
InChI
InChI=1S/C8H8N4S/c1-12-5-3-2-4-10-7(5)11-8(12)6(9)13/h2-4H,1H3,(H2,9,13)
InChIKey
HESBQVRPWDSDDD-UHFFFAOYSA-N
Compound name
1-methylimidazo[4,5-b]pyridine-2-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

192.04697 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.054246 137.9
[M+Na]+ 215.036188 150.1
[M-H]- 191.039694 139.6
[M+NH4]+ 210.080793 157.1
[M+K]+ 231.010128 145.8
[M+H-H2O]+ 175.044230 131.2
[M+HCOO]- 237.045171 155.6
[M+CH3COO]- 251.060821 151.5
[M+Na-2H]- 213.021636 141.9
[M]+ 192.04642142 140.4
[M]- 192.04751858 140.4
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

No patent data available for this compound.