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]+ 193.05425 137.9
[M+Na]+ 215.03619 150.1
[M-H]- 191.03969 139.6
[M+NH4]+ 210.08079 157.1
[M+K]+ 231.01013 145.8
[M+H-H2O]+ 175.04423 131.2
[M+HCOO]- 237.04517 155.6
[M+CH3COO]- 251.06082 151.5
[M+Na-2H]- 213.02164 141.9
[M]+ 192.04642 140.4
[M]- 192.04752 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.