CID 19322

2,2-dibenzyl-4-(2-piperidyl)-1,3-dioxolane hydrochloride

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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.21148 182.4
[M+Na]+ 360.19342 184.7
[M-H]- 336.19692 191.7
[M+NH4]+ 355.23802 193.4
[M+K]+ 376.16736 181.2
[M+H-H2O]+ 320.20146 172.3
[M+HCOO]- 382.20240 196.0
[M+CH3COO]- 396.21805 190.8
[M+Na-2H]- 358.17887 183.7
[M]+ 337.20365 175.9
[M]- 337.20475 175.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.