CID 45051011

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

Structural Information

Molecular Formula
C21H19NOS
SMILES
CCC1=CC=CC=C1NC(=O)/C=C/C2=CC(=CS2)C3=CC=CC=C3
InChI
InChI=1S/C21H19NOS/c1-2-16-8-6-7-11-20(16)22-21(23)13-12-19-14-18(15-24-19)17-9-4-3-5-10-17/h3-15H,2H2,1H3,(H,22,23)/b13-12+
InChIKey
NRZJVQLJKJENIS-OUKQBFOZSA-N
Compound name
(E)-N-(2-ethylphenyl)-3-(4-phenylthiophen-2-yl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.11874 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.12602 180.5
[M+Na]+ 356.10796 194.2
[M+NH4]+ 351.15256 189.5
[M+K]+ 372.08190 184.5
[M-H]- 332.11146 187.6
[M+Na-2H]- 354.09341 190.3
[M]+ 333.11819 185.1
[M]- 333.11929 185.1
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.