CID 3434737

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

Structural Information

Molecular Formula
C22H15ClF3N3OS
SMILES
CC1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC(=O)NC3=CC=C(C=C3)Cl
InChI
InChI=1S/C22H15ClF3N3OS/c1-13-2-4-14(5-3-13)19-10-18(22(24,25)26)17(11-27)21(29-19)31-12-20(30)28-16-8-6-15(23)7-9-16/h2-10H,12H2,1H3,(H,28,30)
InChIKey
VXHXHRADCYNVSV-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)-2-[3-cyano-6-(4-methylphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

461.05765 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.06493 198.4
[M+Na]+ 484.04687 210.2
[M+NH4]+ 479.09147 200.3
[M+K]+ 500.02081 197.8
[M-H]- 460.05037 192.3
[M+Na-2H]- 482.03232 202.4
[M]+ 461.05710 198.2
[M]- 461.05820 198.2
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.