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 180.9
[M+Na]+ 356.10796 187.8
[M-H]- 332.11146 190.8
[M+NH4]+ 351.15256 196.6
[M+K]+ 372.08190 180.8
[M+H-H2O]+ 316.11600 172.8
[M+HCOO]- 378.11694 200.8
[M+CH3COO]- 392.13259 191.9
[M+Na-2H]- 354.09341 180.3
[M]+ 333.11819 182.4
[M]- 333.11929 182.4
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.