CID 2974793

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

Structural Information

Molecular Formula
C22H15ClF3N3O2S
SMILES
COC1=CC=C(C=C1)NC(=O)CSC2=C(C(=CC(=N2)C3=CC=C(C=C3)Cl)C(F)(F)F)C#N
InChI
InChI=1S/C22H15ClF3N3O2S/c1-31-16-8-6-15(7-9-16)28-20(30)12-32-21-17(11-27)18(22(24,25)26)10-19(29-21)13-2-4-14(23)5-3-13/h2-10H,12H2,1H3,(H,28,30)
InChIKey
IDVNQNXJIIYYGT-UHFFFAOYSA-N
Compound name
2-[6-(4-chlorophenyl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

477.05255 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.05983 210.9
[M+Na]+ 500.04177 221.7
[M-H]- 476.04527 213.8
[M+NH4]+ 495.08637 217.4
[M+K]+ 516.01571 212.7
[M+H-H2O]+ 460.04981 193.1
[M+HCOO]- 522.05075 216.1
[M+CH3COO]- 536.06640 240.9
[M+Na-2H]- 498.02722 208.9
[M]+ 477.05200 208.1
[M]- 477.05310 208.1
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.