CID 6053548

327038-94-8

Structural Information

Molecular Formula

C₂₀H₁₇NO₃

SMILES

COC1=CC=C(C=C1)NC(=O)/C=C/C2=CC=C(O2)C3=CC=CC=C3

InChI

InChI=1S/C20H17NO3/c1-23-17-9-7-16(8-10-17)21-20(22)14-12-18-11-13-19(24-18)15-5-3-2-4-6-15/h2-14H,1H3,(H,21,22)/b14-12+

InChIKey

KMYHCSMMFOACBL-WYMLVPIESA-N

Compound name

(E)-N-(4-methoxyphenyl)-3-(5-phenylfuran-2-yl)prop-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 319.12085 Da
Monoisotopic Mass: 3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	320.128126	175.8
[M+Na]+	342.110068	182.3
[M-H]-	318.113574	186.4
[M+NH4]+	337.154673	189.7
[M+K]+	358.084008	178.6
[M+H-H2O]+	302.118110	167.2
[M+HCOO]-	364.119051	200.4
[M+CH3COO]-	378.134701	207.2
[M+Na-2H]-	340.095516	178.9
[M]+	319.12030142	177.9
[M]-	319.12139858	177.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.