CID 3044661

4-piperidinecarboxylic acid, 4-(benzoylamino)-1-(phenylmethyl)-, ethyl ester

Structural Information

Molecular Formula
C22H26N2O3
SMILES
CCOC(=O)C1(CCN(CC1)CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C22H26N2O3/c1-2-27-21(26)22(23-20(25)19-11-7-4-8-12-19)13-15-24(16-14-22)17-18-9-5-3-6-10-18/h3-12H,2,13-17H2,1H3,(H,23,25)
InChIKey
OFAPPWLBKLIMDL-UHFFFAOYSA-N
Compound name
ethyl 4-benzamido-1-benzylpiperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

366.19434 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.20162 190.4
[M+Na]+ 389.18356 201.8
[M+NH4]+ 384.22816 198.2
[M+K]+ 405.15750 192.5
[M-H]- 365.18706 195.5
[M+Na-2H]- 387.16901 199.7
[M]+ 366.19379 193.4
[M]- 366.19489 193.4
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

patents stripe