CID 19322

3666-67-9

Structural Information

Molecular Formula

C₂₂H₂₇NO₂

SMILES

C1CCNC(C1)C2COC(O2)(CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C22H27NO2/c1-3-9-18(10-4-1)15-22(16-19-11-5-2-6-12-19)24-17-21(25-22)20-13-7-8-14-23-20/h1-6,9-12,20-21,23H,7-8,13-17H2

InChIKey

CQBMWKMHGYUARO-UHFFFAOYSA-N

Compound name

2-(2,2-dibenzyl-1,3-dioxolan-4-yl)piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 337.2042 Da
Monoisotopic Mass: 4.1
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]+	338.211476	182.4
[M+Na]+	360.193418	184.7
[M-H]-	336.196924	191.7
[M+NH4]+	355.238023	193.4
[M+K]+	376.167358	181.2
[M+H-H2O]+	320.201460	172.3
[M+HCOO]-	382.202401	196.0
[M+CH3COO]-	396.218051	190.8
[M+Na-2H]-	358.178866	183.7
[M]+	337.20365142	175.9
[M]-	337.20474858	175.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.