CID 1782013

2-{[3-cyano-6-(4-methylphenyl)-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}-n-(4-ethoxyphenyl)acetamide

Structural Information

Molecular Formula
C24H20F3N3O2S
SMILES
CCOC1=CC=C(C=C1)NC(=O)CSC2=C(C(=CC(=N2)C3=CC=C(C=C3)C)C(F)(F)F)C#N
InChI
InChI=1S/C24H20F3N3O2S/c1-3-32-18-10-8-17(9-11-18)29-22(31)14-33-23-19(13-28)20(24(25,26)27)12-21(30-23)16-6-4-15(2)5-7-16/h4-12H,3,14H2,1-2H3,(H,29,31)
InChIKey
UGXVLZAYNHZDIN-UHFFFAOYSA-N
Compound name
2-[3-cyano-6-(4-methylphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

471.12283 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.13011 214.8
[M+Na]+ 494.11205 224.0
[M-H]- 470.11555 217.3
[M+NH4]+ 489.15665 220.5
[M+K]+ 510.08599 215.8
[M+H-H2O]+ 454.12009 195.8
[M+HCOO]- 516.12103 223.2
[M+CH3COO]- 530.13668 243.1
[M+Na-2H]- 492.09750 212.0
[M]+ 471.12228 210.2
[M]- 471.12338 210.2
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.