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]+ 207.06990 142.3
[M+Na]+ 229.05184 154.1
[M-H]- 205.05534 144.3
[M+NH4]+ 224.09644 161.3
[M+K]+ 245.02578 149.9
[M+H-H2O]+ 189.05988 135.4
[M+HCOO]- 251.06082 160.3
[M+CH3COO]- 265.07647 155.7
[M+Na-2H]- 227.03729 146.7
[M]+ 206.06207 146.0
[M]- 206.06317 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.