CID 795596

127033-74-3

Structural Information

Molecular Formula

C₁₆H₁₅NO₂

SMILES

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

InChI

InChI=1S/C16H15NO2/c1-19-15-9-5-8-14(12-15)17-16(18)11-10-13-6-3-2-4-7-13/h2-12H,1H3,(H,17,18)/b11-10+

InChIKey

GVTLFGJNTIRUEG-ZHACJKMWSA-N

Compound name

(E)-N-(3-methoxyphenyl)-3-phenylprop-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2086
Patents: 253.11028 Da
Monoisotopic Mass: 3.6
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]+	254.11756	158.0
[M+Na]+	276.09950	164.1
[M-H]-	252.10300	164.4
[M+NH4]+	271.14410	174.3
[M+K]+	292.07344	160.1
[M+H-H2O]+	236.10754	150.0
[M+HCOO]-	298.10848	182.6
[M+CH3COO]-	312.12413	196.0
[M+Na-2H]-	274.08495	163.4
[M]+	253.10973	158.0
[M]-	253.11083	158.0

Literature stripe

literature stripe

Patent stripe

patents stripe