CID 19326

Beta-2-diphenylmethyl-2-methyl-4-(2-piperidyl)-1,3-dioxolane hydrochloride

Structural Information

Molecular Formula

C₂₂H₂₇NO₂

SMILES

CC1(OCC(O1)C2CCCCN2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H27NO2/c1-22(24-16-20(25-22)19-14-8-9-15-23-19)21(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-7,10-13,19-21,23H,8-9,14-16H2,1H3

InChIKey

DNTLSXYDTJOADP-UHFFFAOYSA-N

Compound name

2-(2-benzhydryl-2-methyl-1,3-dioxolan-4-yl)piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 337.2042 Da
Monoisotopic Mass: 4.0
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	182.9
[M+Na]+	360.193418	184.8
[M-H]-	336.196924	192.4
[M+NH4]+	355.238023	193.8
[M+K]+	376.167358	182.0
[M+H-H2O]+	320.201460	173.1
[M+HCOO]-	382.202401	195.5
[M+CH3COO]-	396.218051	191.1
[M+Na-2H]-	358.178866	183.1
[M]+	337.20365142	175.8
[M]-	337.20474858	175.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.