CID 45051010

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

Structural Information

Molecular Formula
C21H19NO2S
SMILES
CCOC1=CC=CC=C1NC(=O)/C=C/C2=CC(=CS2)C3=CC=CC=C3
InChI
InChI=1S/C21H19NO2S/c1-2-24-20-11-7-6-10-19(20)22-21(23)13-12-18-14-17(15-25-18)16-8-4-3-5-9-16/h3-15H,2H2,1H3,(H,22,23)/b13-12+
InChIKey
XLEPPNZHRFIVDF-OUKQBFOZSA-N
Compound name
(E)-N-(2-ethoxyphenyl)-3-(4-phenylthiophen-2-yl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.11365 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.12093 183.8
[M+Na]+ 372.10287 197.0
[M+NH4]+ 367.14747 192.2
[M+K]+ 388.07681 187.8
[M-H]- 348.10637 190.4
[M+Na-2H]- 370.08832 193.1
[M]+ 349.11310 188.1
[M]- 349.11420 188.1
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.