CID 5851314

3-(4-(methylthio)phenyl)-n-(3-nitrophenyl)acrylamide

Structural Information

Molecular Formula
C16H14N2O3S
SMILES
CSC1=CC=C(C=C1)/C=C/C(=O)NC2=CC(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C16H14N2O3S/c1-22-15-8-5-12(6-9-15)7-10-16(19)17-13-3-2-4-14(11-13)18(20)21/h2-11H,1H3,(H,17,19)/b10-7+
InChIKey
WYXPYGMVWQTHEJ-JXMROGBWSA-N
Compound name
(E)-3-(4-methylsulfanylphenyl)-N-(3-nitrophenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.0725 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.07978 168.3
[M+Na]+ 337.06172 181.3
[M+NH4]+ 332.10632 175.8
[M+K]+ 353.03566 174.7
[M-H]- 313.06522 173.9
[M+Na-2H]- 335.04717 176.0
[M]+ 314.07195 172.0
[M]- 314.07305 172.0
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.