CID 26858

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

Structural Information

Molecular Formula
C26H36N2O2
SMILES
CCN(CC)C(CN1CCC(CC1)(C2=CC=CC=C2)C(=O)OCC)C3=CC=CC=C3
InChI
InChI=1S/C26H36N2O2/c1-4-28(5-2)24(22-13-9-7-10-14-22)21-27-19-17-26(18-20-27,25(29)30-6-3)23-15-11-8-12-16-23/h7-16,24H,4-6,17-21H2,1-3H3
InChIKey
HHAFZKGDRZAVTD-UHFFFAOYSA-N
Compound name
ethyl 1-[2-(diethylamino)-2-phenylethyl]-4-phenylpiperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.27768 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.28496 204.7
[M+Na]+ 431.26690 215.9
[M+NH4]+ 426.31150 213.0
[M+K]+ 447.24084 205.8
[M-H]- 407.27040 210.7
[M+Na-2H]- 429.25235 213.9
[M]+ 408.27713 208.1
[M]- 408.27823 208.1
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.