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 205.4
[M+Na]+ 494.11205 216.0
[M+NH4]+ 489.15665 206.3
[M+K]+ 510.08599 204.0
[M-H]- 470.11555 198.8
[M+Na-2H]- 492.09750 208.5
[M]+ 471.12228 204.6
[M]- 471.12338 204.6
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.