CID 26017

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

Structural Information

Molecular Formula
C26H34N2O3
SMILES
CCOC(=O)C1(CCN(CC1)CC(C2=CC=CC=C2)N3CCOCC3)C4=CC=CC=C4
InChI
InChI=1S/C26H34N2O3/c1-2-31-25(29)26(23-11-7-4-8-12-23)13-15-27(16-14-26)21-24(22-9-5-3-6-10-22)28-17-19-30-20-18-28/h3-12,24H,2,13-21H2,1H3
InChIKey
CAYTWZSEIVOECM-UHFFFAOYSA-N
Compound name
ethyl 1-(2-morpholin-4-yl-2-phenylethyl)-4-phenylpiperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.25696 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.26424 207.1
[M+Na]+ 445.24618 219.2
[M+NH4]+ 440.29078 215.0
[M+K]+ 461.22012 209.5
[M-H]- 421.24968 214.7
[M+Na-2H]- 443.23163 216.1
[M]+ 422.25641 211.0
[M]- 422.25751 211.0
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.