CID 19328

Alpha-2-benzyl-2-phenyl-4-(2-piperidyl)-1,3-dioxolane hydrochloride

Structural Information

Molecular Formula
C21H25NO2
SMILES
C1CCNC(C1)C2COC(O2)(CC3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C21H25NO2/c1-3-9-17(10-4-1)15-21(18-11-5-2-6-12-18)23-16-20(24-21)19-13-7-8-14-22-19/h1-6,9-12,19-20,22H,7-8,13-16H2
InChIKey
DTMSXNPLOFHJBL-UHFFFAOYSA-N
Compound name
2-(2-benzyl-2-phenyl-1,3-dioxolan-4-yl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.18854 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.19582 178.0
[M+Na]+ 346.17776 180.8
[M-H]- 322.18126 187.6
[M+NH4]+ 341.22236 189.6
[M+K]+ 362.15170 177.5
[M+H-H2O]+ 306.18580 168.2
[M+HCOO]- 368.18674 192.0
[M+CH3COO]- 382.20239 186.8
[M+Na-2H]- 344.16321 179.9
[M]+ 323.18799 171.2
[M]- 323.18909 171.2
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.