CID 3236

Eperisone

Structural Information

Molecular Formula

C₁₇H₂₅NO

SMILES

CCC1=CC=C(C=C1)C(=O)C(C)CN2CCCCC2

InChI

InChI=1S/C17H25NO/c1-3-15-7-9-16(10-8-15)17(19)14(2)13-18-11-5-4-6-12-18/h7-10,14H,3-6,11-13H2,1-2H3

InChIKey

SQUNAWUMZGQQJD-UHFFFAOYSA-N

Compound name

1-(4-ethylphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 111
References: 3064
Patents: 259.1936 Da
Monoisotopic Mass: 3.8
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]+	260.20088	164.6
[M+Na]+	282.18282	167.4
[M-H]-	258.18632	168.2
[M+NH4]+	277.22742	179.4
[M+K]+	298.15676	164.1
[M+H-H2O]+	242.19086	156.0
[M+HCOO]-	304.19180	180.7
[M+CH3COO]-	318.20745	198.7
[M+Na-2H]-	280.16827	164.9
[M]+	259.19305	160.7
[M]-	259.19415	160.7

Literature stripe

literature stripe

Patent stripe

patents stripe