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 184.5
[M+Na]+ 372.10287 191.1
[M-H]- 348.10637 194.3
[M+NH4]+ 367.14747 199.3
[M+K]+ 388.07681 184.7
[M+H-H2O]+ 332.11091 176.1
[M+HCOO]- 394.11185 204.6
[M+CH3COO]- 408.12750 211.4
[M+Na-2H]- 370.08832 183.9
[M]+ 349.11310 187.3
[M]- 349.11420 187.3
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.