PubChemLite - Dexoxadrol (C20H23NO2)

Structural Information

Molecular Formula

SMILES

C1CCN[C@@H](C1)[C@H]2COC(O2)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C20H23NO2/c1-3-9-16(10-4-1)20(17-11-5-2-6-12-17)22-15-19(23-20)18-13-7-8-14-21-18/h1-6,9-12,18-19,21H,7-8,13-15H2/t18-,19+/m0/s1

InChIKey

HGKAMARNFGKMLC-RBUKOAKNSA-N

Compound name

(2S)-2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]piperidine

Related CIDs

2D Structure

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]+	310.18016	173.6
[M+Na]+	332.16210	176.8
[M-H]-	308.16560	183.4
[M+NH4]+	327.20670	185.8
[M+K]+	348.13604	173.8
[M+H-H2O]+	292.17014	164.0
[M+HCOO]-	354.17108	188.0
[M+CH3COO]-	368.18673	182.9
[M+Na-2H]-	330.14755	176.0
[M]+	309.17233	166.5
[M]-	309.17343	166.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

310.18016

173.6

[M+Na]+

332.16210

176.8

[M-H]-

308.16560

183.4

[M+NH4]+

327.20670

185.8

[M+K]+

348.13604

173.8

[M+H-H2O]+

292.17014

164.0

[M+HCOO]-

354.17108

188.0

[M+CH3COO]-

368.18673

182.9

[M+Na-2H]-

330.14755

176.0

[M]+

309.17233

166.5

[M]-

309.17343

166.5

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Dexoxadrol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe