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 176.5
[M+Na]+ 342.09232 183.9
[M-H]- 318.09582 186.6
[M+NH4]+ 337.13692 192.8
[M+K]+ 358.06626 177.1
[M+H-H2O]+ 302.10036 168.6
[M+HCOO]- 364.10130 196.8
[M+CH3COO]- 378.11695 187.9
[M+Na-2H]- 340.07777 176.4
[M]+ 319.10255 177.7
[M]- 319.10365 177.7
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.