CID 245851

Ethyl 4-acetamido-alpha-cyanocinnamate

Structural Information

Molecular Formula

C₁₄H₁₄N₂O₃

SMILES

CCOC(=O)C(=CC1=CC=C(C=C1)NC(=O)C)C#N

InChI

InChI=1S/C14H14N2O3/c1-3-19-14(18)12(9-15)8-11-4-6-13(7-5-11)16-10(2)17/h4-8H,3H2,1-2H3,(H,16,17)

InChIKey

CPLWLQOLZIZSLD-UHFFFAOYSA-N

Compound name

ethyl 3-(4-acetamidophenyl)-2-cyanoprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 258.10043 Da
Monoisotopic Mass: 1.6
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]+	259.107706	163.5
[M+Na]+	281.089648	171.0
[M-H]-	257.093154	166.3
[M+NH4]+	276.134253	178.1
[M+K]+	297.063588	168.3
[M+H-H2O]+	241.097690	150.1
[M+HCOO]-	303.098631	182.1
[M+CH3COO]-	317.114281	208.3
[M+Na-2H]-	279.075096	164.4
[M]+	258.09988142	159.4
[M]-	258.10097858	159.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe