CID 46861776

Chembl1163455

Structural Information

Molecular Formula

C₁₆H₁₅NO₄

SMILES

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

InChI

InChI=1S/C16H15NO4/c1-21-13-6-4-12(5-7-13)17-16(20)9-3-11-2-8-14(18)15(19)10-11/h2-10,18-19H,1H3,(H,17,20)/b9-3+

InChIKey

MGXQKQSEWXXTPE-YCRREMRBSA-N

Compound name

(E)-3-(3,4-dihydroxyphenyl)-N-(4-methoxyphenyl)prop-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 1
Patents: 285.1001 Da
Monoisotopic Mass: 2.3
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]+	286.107376	164.2
[M+Na]+	308.089318	171.0
[M-H]-	284.092824	168.6
[M+NH4]+	303.133923	178.3
[M+K]+	324.063258	166.8
[M+H-H2O]+	268.097360	156.7
[M+HCOO]-	330.098301	186.1
[M+CH3COO]-	344.113951	198.0
[M+Na-2H]-	306.074766	167.4
[M]+	285.09955142	164.3
[M]-	285.10064858	164.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.