CID 173755

R 32557

Structural Information

Molecular Formula

C₂₄H₃₀N₂O₂

SMILES

CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCC3=CC=CC=C3)C(=O)C

InChI

InChI=1S/C24H30N2O2/c1-3-23(28)26(22-12-8-5-9-13-22)24(20(2)27)15-18-25(19-16-24)17-14-21-10-6-4-7-11-21/h4-13H,3,14-19H2,1-2H3

InChIKey

QWGNBDHHZUUXTP-UHFFFAOYSA-N

Compound name

N-[4-acetyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 12
Patents: 378.23074 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]+	379.238016	195.1
[M+Na]+	401.219958	196.5
[M-H]-	377.223464	202.7
[M+NH4]+	396.264563	206.4
[M+K]+	417.193898	192.9
[M+H-H2O]+	361.228000	184.1
[M+HCOO]-	423.228941	212.0
[M+CH3COO]-	437.244591	223.8
[M+Na-2H]-	399.205406	195.0
[M]+	378.23019142	192.3
[M]-	378.23128858	192.3

Literature stripe

literature stripe

Patent stripe

patents stripe