CID 2060429

N-(4-chlorophenyl)-3-(4-(methylthio)phenyl)acrylamide

Structural Information

Molecular Formula
C16H14ClNOS
SMILES
CSC1=CC=C(C=C1)/C=C/C(=O)NC2=CC=C(C=C2)Cl
InChI
InChI=1S/C16H14ClNOS/c1-20-15-9-2-12(3-10-15)4-11-16(19)18-14-7-5-13(17)6-8-14/h2-11H,1H3,(H,18,19)/b11-4+
InChIKey
VETVSIJLOJCERN-NYYWCZLTSA-N
Compound name
(E)-N-(4-chlorophenyl)-3-(4-methylsulfanylphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.04846 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.05574 167.4
[M+Na]+ 326.03768 175.5
[M-H]- 302.04118 174.2
[M+NH4]+ 321.08228 183.7
[M+K]+ 342.01162 168.2
[M+H-H2O]+ 286.04572 160.8
[M+HCOO]- 348.04666 182.0
[M+CH3COO]- 362.06231 202.4
[M+Na-2H]- 324.02313 168.9
[M]+ 303.04791 170.9
[M]- 303.04901 170.9
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.