CID 1035668

332114-11-1

Structural Information

Molecular Formula
C20H14F3N3OS2
SMILES
CC1=CC(=CC=C1)NC(=O)CSC2=C(C(=CC(=N2)C3=CC=CS3)C(F)(F)F)C#N
InChI
InChI=1S/C20H14F3N3OS2/c1-12-4-2-5-13(8-12)25-18(27)11-29-19-14(10-24)15(20(21,22)23)9-16(26-19)17-6-3-7-28-17/h2-9H,11H2,1H3,(H,25,27)
InChIKey
LIRQEBOXUUPWJJ-UHFFFAOYSA-N
Compound name
2-[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-(3-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

433.05304 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.06032 188.0
[M+Na]+ 456.04226 197.3
[M+NH4]+ 451.08686 190.1
[M+K]+ 472.01620 186.3
[M-H]- 432.04576 181.5
[M+Na-2H]- 454.02771 191.0
[M]+ 433.05249 187.4
[M]- 433.05359 187.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.