CID 3852404

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

Structural Information

Molecular Formula
C23H18F3N3OS
SMILES
CC1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC(=O)NC3=CC=CC(=C3)C
InChI
InChI=1S/C23H18F3N3OS/c1-14-6-8-16(9-7-14)20-11-19(23(24,25)26)18(12-27)22(29-20)31-13-21(30)28-17-5-3-4-15(2)10-17/h3-11H,13H2,1-2H3,(H,28,30)
InChIKey
BWFYLNNXSIZSPZ-UHFFFAOYSA-N
Compound name
2-[3-cyano-6-(4-methylphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-(3-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

441.11227 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.11955 199.3
[M+Na]+ 464.10149 210.5
[M+NH4]+ 459.14609 200.9
[M+K]+ 480.07543 198.3
[M-H]- 440.10499 193.2
[M+Na-2H]- 462.08694 203.0
[M]+ 441.11172 198.8
[M]- 441.11282 198.8
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.