CID 211249

22742-71-8

Structural Information

Molecular Formula

C₁₅H₂₂N₂O₃

SMILES

CCN(CC)C(=O)C(CCC(=O)N)(C1=CC=CC=C1)O

InChI

InChI=1S/C15H22N2O3/c1-3-17(4-2)14(19)15(20,11-10-13(16)18)12-8-6-5-7-9-12/h5-9,20H,3-4,10-11H2,1-2H3,(H2,16,18)

InChIKey

NODIQSGVOONMED-UHFFFAOYSA-N

Compound name

N,N-diethyl-2-hydroxy-2-phenylpentanediamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 278.16306 Da
Monoisotopic Mass: 0.5
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]+	279.170336	167.2
[M+Na]+	301.152278	170.3
[M-H]-	277.155784	169.5
[M+NH4]+	296.196883	181.9
[M+K]+	317.126218	169.1
[M+H-H2O]+	261.160320	160.1
[M+HCOO]-	323.161261	187.7
[M+CH3COO]-	337.176911	205.4
[M+Na-2H]-	299.137726	168.9
[M]+	278.16251142	167.1
[M]-	278.16360858	167.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.