CID 19330

3666-77-1

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]+ 409.28496 203.8
[M+Na]+ 431.26690 204.3
[M-H]- 407.27040 214.0
[M+NH4]+ 426.31150 212.4
[M+K]+ 447.24084 201.4
[M+H-H2O]+ 391.27494 192.7
[M+HCOO]- 453.27588 217.4
[M+CH3COO]- 467.29153 210.7
[M+Na-2H]- 429.25235 202.3
[M]+ 408.27713 199.5
[M]- 408.27823 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.