CID 1256497

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

Structural Information

Molecular Formula
C20H11F3N4OS2
SMILES
C1=CC=C(C(=C1)C#N)NC(=O)CSC2=C(C(=CC(=N2)C3=CC=CS3)C(F)(F)F)C#N
InChI
InChI=1S/C20H11F3N4OS2/c21-20(22,23)14-8-16(17-6-3-7-29-17)27-19(13(14)10-25)30-11-18(28)26-15-5-2-1-4-12(15)9-24/h1-8H,11H2,(H,26,28)
InChIKey
HUVMRDVZDJAZMB-UHFFFAOYSA-N
Compound name
N-(2-cyanophenyl)-2-[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

444.03262 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.03990 194.7
[M+Na]+ 467.02184 202.2
[M+NH4]+ 462.06644 193.8
[M+K]+ 482.99578 190.6
[M-H]- 443.02534 184.0
[M+Na-2H]- 465.00729 194.1
[M]+ 444.03207 192.1
[M]- 444.03317 192.1
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.