CID 3001337

N,1-dimethylimidazo[4,5-b]pyridine-2-carbothioamide

Structural Information

Molecular Formula
C9H10N4S
SMILES
CNC(=S)C1=NC2=C(N1C)C=CC=N2
InChI
InChI=1S/C9H10N4S/c1-10-9(14)8-12-7-6(13(8)2)4-3-5-11-7/h3-5H,1-2H3,(H,10,14)
InChIKey
JUQFSJIBLBFUOL-UHFFFAOYSA-N
Compound name
N,1-dimethylimidazo[4,5-b]pyridine-2-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

206.06262 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.069896 142.3
[M+Na]+ 229.051838 154.1
[M-H]- 205.055344 144.3
[M+NH4]+ 224.096443 161.3
[M+K]+ 245.025778 149.9
[M+H-H2O]+ 189.059880 135.4
[M+HCOO]- 251.060821 160.3
[M+CH3COO]- 265.076471 155.7
[M+Na-2H]- 227.037286 146.7
[M]+ 206.06207142 146.0
[M]- 206.06316858 146.0
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.