CID 19330

Beta-4-(1-(2-diethylaminoethyl)-2-piperidyl)-2,2-diphenyl-1,3-dioxolane dihydrochloride

Structural Information

Molecular Formula
C26H36N2O2
SMILES
CCN(CC)CCC1CCNC(C1)C2COC(O2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C26H36N2O2/c1-3-28(4-2)18-16-21-15-17-27-24(19-21)25-20-29-26(30-25,22-11-7-5-8-12-22)23-13-9-6-10-14-23/h5-14,21,24-25,27H,3-4,15-20H2,1-2H3
InChIKey
PDWXSWRAELSRLO-UHFFFAOYSA-N
Compound name
2-[2-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidin-4-yl]-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.27768 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.284956 203.8
[M+Na]+ 431.266898 204.3
[M-H]- 407.270404 214.0
[M+NH4]+ 426.311503 212.4
[M+K]+ 447.240838 201.4
[M+H-H2O]+ 391.274940 192.7
[M+HCOO]- 453.275881 217.4
[M+CH3COO]- 467.291531 210.7
[M+Na-2H]- 429.252346 202.3
[M]+ 408.27713142 199.5
[M]- 408.27822858 199.5
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.