CID 2392254

158268-77-0

Structural Information

Molecular Formula

C₂₁H₂₆N₂O₂

SMILES

CCN(CC1=CC=CC=C1)C(=O)CC(=O)N(CC)CC2=CC=CC=C2

InChI

InChI=1S/C21H26N2O2/c1-3-22(16-18-11-7-5-8-12-18)20(24)15-21(25)23(4-2)17-19-13-9-6-10-14-19/h5-14H,3-4,15-17H2,1-2H3

InChIKey

UXXQBWCUGQPVDT-UHFFFAOYSA-N

Compound name

N,N'-dibenzyl-N,N'-diethylpropanediamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 338.19943 Da
Monoisotopic Mass: 3.1
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]+	339.206706	185.8
[M+Na]+	361.188648	187.7
[M-H]-	337.192154	193.7
[M+NH4]+	356.233253	199.0
[M+K]+	377.162588	186.0
[M+H-H2O]+	321.196690	175.8
[M+HCOO]-	383.197631	209.5
[M+CH3COO]-	397.213281	222.3
[M+Na-2H]-	359.174096	186.8
[M]+	338.19888142	188.3
[M]-	338.19997858	188.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.