CID 162345276

Ns00133521

Structural Information

Molecular Formula

C₁₅H₂₀N₂O₃

SMILES

CCCC(=O)NC1=CC(=C(C=C1)O/C=C/CN)C(=O)C

InChI

InChI=1S/C15H20N2O3/c1-3-5-15(19)17-12-6-7-14(20-9-4-8-16)13(10-12)11(2)18/h4,6-7,9-10H,3,5,8,16H2,1-2H3,(H,17,19)/b9-4+

InChIKey

LBTCJBLMDSYMDY-RUDMXATFSA-N

Compound name

N-[3-acetyl-4-[(E)-3-aminoprop-1-enoxy]phenyl]butanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 276.1474 Da
Monoisotopic Mass: 1.2
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]+	277.154676	166.1
[M+Na]+	299.136618	171.3
[M-H]-	275.140124	168.9
[M+NH4]+	294.181223	181.5
[M+K]+	315.110558	168.5
[M+H-H2O]+	259.144660	158.7
[M+HCOO]-	321.145601	189.3
[M+CH3COO]-	335.161251	205.2
[M+Na-2H]-	297.122066	166.7
[M]+	276.14685142	167.1
[M]-	276.14794858	167.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.