CID 3864121

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

Structural Information

Molecular Formula
C21H12Cl2F3N3OS
SMILES
C1=CC(=CC=C1C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC(=O)NC3=CC=C(C=C3)Cl)Cl
InChI
InChI=1S/C21H12Cl2F3N3OS/c22-13-3-1-12(2-4-13)18-9-17(21(24,25)26)16(10-27)20(29-18)31-11-19(30)28-15-7-5-14(23)6-8-15/h1-9H,11H2,(H,28,30)
InChIKey
ZOILVWISESSCBF-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)-2-[6-(4-chlorophenyl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

481.00302 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.01030 196.8
[M+Na]+ 503.99224 209.0
[M+NH4]+ 499.03684 199.0
[M+K]+ 519.96618 196.6
[M-H]- 479.99574 190.9
[M+Na-2H]- 501.97769 201.0
[M]+ 481.00247 196.9
[M]- 481.00357 196.9
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.