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]+ 354.20638 185.7
[M+Na]+ 376.18832 188.7
[M-H]- 352.19182 195.5
[M+NH4]+ 371.23292 196.3
[M+K]+ 392.16226 186.0
[M+H-H2O]+ 336.19636 175.7
[M+HCOO]- 398.19730 199.5
[M+CH3COO]- 412.21295 194.3
[M+Na-2H]- 374.17377 186.5
[M]+ 353.19855 181.0
[M]- 353.19965 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.