CID 3724915

2-{[3-cyano-6-(4-methylphenyl)-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}-n-(2,5-dimethylphenyl)acetamide

Structural Information

Molecular Formula
C24H20F3N3OS
SMILES
CC1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC(=O)NC3=C(C=CC(=C3)C)C
InChI
InChI=1S/C24H20F3N3OS/c1-14-5-8-17(9-6-14)21-11-19(24(25,26)27)18(12-28)23(30-21)32-13-22(31)29-20-10-15(2)4-7-16(20)3/h4-11H,13H2,1-3H3,(H,29,31)
InChIKey
OIWOFGDXTBJYBG-UHFFFAOYSA-N
Compound name
2-[3-cyano-6-(4-methylphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-(2,5-dimethylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

455.12793 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.13521 212.5
[M+Na]+ 478.11715 222.7
[M-H]- 454.12065 215.4
[M+NH4]+ 473.16175 219.2
[M+K]+ 494.09109 214.0
[M+H-H2O]+ 438.12519 193.9
[M+HCOO]- 500.12613 220.7
[M+CH3COO]- 514.14178 242.4
[M+Na-2H]- 476.10260 208.8
[M]+ 455.12738 207.1
[M]- 455.12848 207.1
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.