CID 52843

2,2-dibenzyl-4-diethylaminomethyl-1,3-dioxolane hydrochloride

Structural Information

Molecular Formula

C₂₂H₂₉NO₂

SMILES

CCN(CC)CC1COC(O1)(CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C22H29NO2/c1-3-23(4-2)17-21-18-24-22(25-21,15-19-11-7-5-8-12-19)16-20-13-9-6-10-14-20/h5-14,21H,3-4,15-18H2,1-2H3

InChIKey

CLWITICGDCEUFI-UHFFFAOYSA-N

Compound name

N-[(2,2-dibenzyl-1,3-dioxolan-4-yl)methyl]-N-ethylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 339.21982 Da
Monoisotopic Mass: 4.4
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]+	340.227096	185.9
[M+Na]+	362.209038	189.5
[M-H]-	338.212544	196.9
[M+NH4]+	357.253643	200.1
[M+K]+	378.182978	188.3
[M+H-H2O]+	322.217080	177.1
[M+HCOO]-	384.218021	206.8
[M+CH3COO]-	398.233671	215.4
[M+Na-2H]-	360.194486	188.6
[M]+	339.21927142	188.2
[M]-	339.22036858	188.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.