CID 5017505

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

Structural Information

Molecular Formula
C23H17BrF3N3O2S
SMILES
CCOC1=CC=C(C=C1)NC(=O)CSC2=C(C(=CC(=N2)C3=CC=C(C=C3)Br)C(F)(F)F)C#N
InChI
InChI=1S/C23H17BrF3N3O2S/c1-2-32-17-9-7-16(8-10-17)29-21(31)13-33-22-18(12-28)19(23(25,26)27)11-20(30-22)14-3-5-15(24)6-4-14/h3-11H,2,13H2,1H3,(H,29,31)
InChIKey
OWKCCDAGYLDDTI-UHFFFAOYSA-N
Compound name
2-[6-(4-bromophenyl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

535.0177 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 536.02498 203.1
[M+Na]+ 558.00692 206.2
[M+NH4]+ 553.05152 202.0
[M+K]+ 573.98086 200.1
[M-H]- 534.01042 196.5
[M+Na-2H]- 555.99237 203.9
[M]+ 535.01715 200.4
[M]- 535.01825 200.4
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.