CID 3060810

78289-28-8

Structural Information

Molecular Formula

C₁₇H₂₆N₂O₂

SMILES

CC1=C(C(=CC=C1)C)NC(=O)C2CCCCN2CCCO

InChI

InChI=1S/C17H26N2O2/c1-13-7-5-8-14(2)16(13)18-17(21)15-9-3-4-10-19(15)11-6-12-20/h5,7-8,15,20H,3-4,6,9-12H2,1-2H3,(H,18,21)

InChIKey

MXUQZRSLRDEVPR-UHFFFAOYSA-N

Compound name

N-(2,6-dimethylphenyl)-1-(3-hydroxypropyl)piperidine-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 290.19943 Da
Monoisotopic Mass: 1.7
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]+	291.206706	172.0
[M+Na]+	313.188648	175.6
[M-H]-	289.192154	174.9
[M+NH4]+	308.233253	185.1
[M+K]+	329.162588	171.6
[M+H-H2O]+	273.196690	163.5
[M+HCOO]-	335.197631	188.8
[M+CH3COO]-	349.213281	204.1
[M+Na-2H]-	311.174096	172.1
[M]+	290.19888142	168.4
[M]-	290.19997858	168.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe