CID 45051014

N-(3-methylphenyl)-3-(4-phenyl-2-thienyl)-2-propenamide

Structural Information

Molecular Formula
C20H17NOS
SMILES
CC1=CC(=CC=C1)NC(=O)/C=C/C2=CC(=CS2)C3=CC=CC=C3
InChI
InChI=1S/C20H17NOS/c1-15-6-5-9-18(12-15)21-20(22)11-10-19-13-17(14-23-19)16-7-3-2-4-8-16/h2-14H,1H3,(H,21,22)/b11-10+
InChIKey
MUKRYUJJSFZXQE-ZHACJKMWSA-N
Compound name
(E)-N-(3-methylphenyl)-3-(4-phenylthiophen-2-yl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.1031 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.11038 176.1
[M+Na]+ 342.09232 190.0
[M+NH4]+ 337.13692 185.3
[M+K]+ 358.06626 180.5
[M-H]- 318.09582 183.3
[M+Na-2H]- 340.07777 186.1
[M]+ 319.10255 180.7
[M]- 319.10365 180.7
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.