CID 44426093

Chembl228643

Structural Information

Molecular Formula

C₁₂H₁₅NO₃

SMILES

CC(=O)N/C=C/C1=C(C=C(C=C1)OC)OC

InChI

InChI=1S/C12H15NO3/c1-9(14)13-7-6-10-4-5-11(15-2)8-12(10)16-3/h4-8H,1-3H3,(H,13,14)/b7-6+

InChIKey

ZGVHCFQVGZVXLI-VOTSOKGWSA-N

Compound name

N-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 221.1052 Da
Monoisotopic Mass: 1.5
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]+	222.112476	148.5
[M+Na]+	244.094418	156.0
[M-H]-	220.097924	152.4
[M+NH4]+	239.139023	167.0
[M+K]+	260.068358	154.2
[M+H-H2O]+	204.102460	142.1
[M+HCOO]-	266.103401	173.2
[M+CH3COO]-	280.119051	191.4
[M+Na-2H]-	242.079866	152.8
[M]+	221.10465142	151.7
[M]-	221.10574858	151.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.