CID 281783

Alpha-cyano-3,4-dimethoxycinnamamide

Structural Information

Molecular Formula

C₁₂H₁₂N₂O₃

SMILES

COC1=C(C=C(C=C1)C=C(C#N)C(=O)N)OC

InChI

InChI=1S/C12H12N2O3/c1-16-10-4-3-8(6-11(10)17-2)5-9(7-13)12(14)15/h3-6H,1-2H3,(H2,14,15)

InChIKey

UHGNGGISEFEZHE-UHFFFAOYSA-N

Compound name

2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 232.0848 Da
Monoisotopic Mass: 1.1
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]+	233.09208	154.1
[M+Na]+	255.07402	163.0
[M-H]-	231.07752	157.0
[M+NH4]+	250.11862	169.7
[M+K]+	271.04796	160.7
[M+H-H2O]+	215.08206	141.2
[M+HCOO]-	277.08300	173.5
[M+CH3COO]-	291.09865	204.7
[M+Na-2H]-	253.05947	155.7
[M]+	232.08425	150.2
[M]-	232.08535	150.2

Literature stripe

literature stripe

Patent stripe

patents stripe