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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	367.201616	189.9
[M+Na]+	389.183558	192.0
[M-H]-	365.187064	196.5
[M+NH4]+	384.228163	201.1
[M+K]+	405.157498	188.1
[M+H-H2O]+	349.191600	179.2
[M+HCOO]-	411.192541	207.2
[M+CH3COO]-	425.208191	216.1
[M+Na-2H]-	387.169006	191.7
[M]+	366.19379142	186.6
[M]-	366.19488858	186.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe