CID 26013

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

Structural Information

Molecular Formula
C24H32N2O2
SMILES
CCOC(=O)C1(CCN(CC1)CC(C2=CC=CC=C2)N(C)C)C3=CC=CC=C3
InChI
InChI=1S/C24H32N2O2/c1-4-28-23(27)24(21-13-9-6-10-14-21)15-17-26(18-16-24)19-22(25(2)3)20-11-7-5-8-12-20/h5-14,22H,4,15-19H2,1-3H3
InChIKey
RTWDXWJKZBGYIM-UHFFFAOYSA-N
Compound name
ethyl 1-[2-(dimethylamino)-2-phenylethyl]-4-phenylpiperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.24637 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.25365 195.9
[M+Na]+ 403.23559 207.6
[M+NH4]+ 398.28019 204.6
[M+K]+ 419.20953 198.0
[M-H]- 379.23909 202.0
[M+Na-2H]- 401.22104 205.6
[M]+ 380.24582 199.4
[M]- 380.24692 199.4
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.