CID 3000613

2-(3h-imidazo[4,5-b]pyridin-2-yl)propanethioamide

Structural Information

Molecular Formula
C9H10N4S
SMILES
CC(C1=NC2=C(N1)C=CC=N2)C(=S)N
InChI
InChI=1S/C9H10N4S/c1-5(7(10)14)8-12-6-3-2-4-11-9(6)13-8/h2-5H,1H3,(H2,10,14)(H,11,12,13)
InChIKey
SKGAGSCIMBNQHK-UHFFFAOYSA-N
Compound name
2-(1H-imidazo[4,5-b]pyridin-2-yl)propanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

206.06262 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.06990 142.4
[M+Na]+ 229.05184 152.5
[M-H]- 205.05534 142.2
[M+NH4]+ 224.09644 160.0
[M+K]+ 245.02578 147.6
[M+H-H2O]+ 189.05988 135.7
[M+HCOO]- 251.06082 157.3
[M+CH3COO]- 265.07647 154.4
[M+Na-2H]- 227.03729 145.3
[M]+ 206.06207 142.4
[M]- 206.06317 142.4
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.