CID 6475677

3-(2,4-dimethyl-phenyl)-2-(3h-imidazo[4,5-b]pyridin-2-yl)-thioacrylamide

Structural Information

Molecular Formula
C17H16N4S
SMILES
CC1=CC(=C(C=C1)/C=C(/C2=NC3=C(N2)C=CC=N3)\C(=S)N)C
InChI
InChI=1S/C17H16N4S/c1-10-5-6-12(11(2)8-10)9-13(15(18)22)16-20-14-4-3-7-19-17(14)21-16/h3-9H,1-2H3,(H2,18,22)(H,19,20,21)/b13-9+
InChIKey
ZUXUMTTXCOLEBM-UKTHLTGXSA-N
Compound name
(Z)-3-(2,4-dimethylphenyl)-2-(1H-imidazo[4,5-b]pyridin-2-yl)prop-2-enethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

308.10956 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.11684 172.1
[M+Na]+ 331.09878 182.1
[M-H]- 307.10228 175.2
[M+NH4]+ 326.14338 185.6
[M+K]+ 347.07272 174.1
[M+H-H2O]+ 291.10682 164.2
[M+HCOO]- 353.10776 186.0
[M+CH3COO]- 367.12341 182.4
[M+Na-2H]- 329.08423 172.2
[M]+ 308.10901 172.5
[M]- 308.11011 172.5
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.