CID 3040026

51491-48-6

Structural Information

Molecular Formula

C₁₉H₂₈N₂O

SMILES

CN1CC(CC(C1)C(=O)NC2CCCCC2)C3=CC=CC=C3

InChI

InChI=1S/C19H28N2O/c1-21-13-16(15-8-4-2-5-9-15)12-17(14-21)19(22)20-18-10-6-3-7-11-18/h2,4-5,8-9,16-18H,3,6-7,10-14H2,1H3,(H,20,22)

InChIKey

JDADZMPAJBUKLU-UHFFFAOYSA-N

Compound name

N-cyclohexyl-1-methyl-5-phenylpiperidine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 300.22015 Da
Monoisotopic Mass: 3.2
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]+	301.227426	174.8
[M+Na]+	323.209368	175.2
[M-H]-	299.212874	180.7
[M+NH4]+	318.253973	187.1
[M+K]+	339.183308	171.0
[M+H-H2O]+	283.217410	164.6
[M+HCOO]-	345.218351	189.2
[M+CH3COO]-	359.234001	206.3
[M+Na-2H]-	321.194816	174.4
[M]+	300.21960142	164.8
[M]-	300.22069858	164.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.