CID 26883

Isonipecotic acid, 4-phenyl-1-(beta-piperidinophenethyl)-, ethyl ester, maleate (1:2)

Structural Information

Molecular Formula
C27H36N2O2
SMILES
CCOC(=O)C1(CCN(CC1)CC(C2=CC=CC=C2)N3CCCCC3)C4=CC=CC=C4
InChI
InChI=1S/C27H36N2O2/c1-2-31-26(30)27(24-14-8-4-9-15-24)16-20-28(21-17-27)22-25(23-12-6-3-7-13-23)29-18-10-5-11-19-29/h3-4,6-9,12-15,25H,2,5,10-11,16-22H2,1H3
InChIKey
WMOKGXVIIBHSCV-UHFFFAOYSA-N
Compound name
ethyl 4-phenyl-1-(2-phenyl-2-piperidin-1-ylethyl)piperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.27768 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.28496 208.9
[M+Na]+ 443.26690 220.9
[M+NH4]+ 438.31150 217.4
[M+K]+ 459.24084 210.1
[M-H]- 419.27040 215.7
[M+Na-2H]- 441.25235 218.6
[M]+ 420.27713 212.6
[M]- 420.27823 212.6
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.