CID 199737

Alpha-dl-2-(2,2-diphenyl-1,3-dioxolan-4-yl)-1-piperidineethanol hydrochloride

Structural Information

Molecular Formula
C22H27NO3
SMILES
C1CCN(C(C1)C2COC(O2)(C3=CC=CC=C3)C4=CC=CC=C4)CCO
InChI
InChI=1S/C22H27NO3/c24-16-15-23-14-8-7-13-20(23)21-17-25-22(26-21,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-6,9-12,20-21,24H,7-8,13-17H2
InChIKey
KXKVFCSINDIROZ-UHFFFAOYSA-N
Compound name
2-[2-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidin-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.1991 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.206376 185.7
[M+Na]+ 376.188318 188.7
[M-H]- 352.191824 195.5
[M+NH4]+ 371.232923 196.3
[M+K]+ 392.162258 186.0
[M+H-H2O]+ 336.196360 175.7
[M+HCOO]- 398.197301 199.5
[M+CH3COO]- 412.212951 194.3
[M+Na-2H]- 374.173766 186.5
[M]+ 353.19855142 181.0
[M]- 353.19964858 181.0
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.