CID 6475678

(z)-3-(2,4-dimethylphenyl)-2-(1-methylimidazo[4,5-b]pyridin-2-yl)prop-2-enethioamide

Structural Information

Molecular Formula
C18H18N4S
SMILES
CC1=CC(=C(C=C1)/C=C(/C2=NC3=C(N2C)C=CC=N3)\C(=S)N)C
InChI
InChI=1S/C18H18N4S/c1-11-6-7-13(12(2)9-11)10-14(16(19)23)18-21-17-15(22(18)3)5-4-8-20-17/h4-10H,1-3H3,(H2,19,23)/b14-10+
InChIKey
RTTREHLEVXELSJ-GXDHUFHOSA-N
Compound name
(Z)-3-(2,4-dimethylphenyl)-2-(1-methylimidazo[4,5-b]pyridin-2-yl)prop-2-enethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

322.1252 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.13248 177.2
[M+Na]+ 345.11442 188.0
[M-H]- 321.11792 181.8
[M+NH4]+ 340.15902 191.1
[M+K]+ 361.08836 180.5
[M+H-H2O]+ 305.12246 168.9
[M+HCOO]- 367.12340 192.1
[M+CH3COO]- 381.13905 187.9
[M+Na-2H]- 343.09987 176.3
[M]+ 322.12465 180.1
[M]- 322.12575 180.1
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.