CID 56867

95133-58-7

Structural Information

Molecular Formula

C₂₂H₂₅NO₃

SMILES

CCOC(=O)C1(CCN(CC1)CC(=O)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H25NO3/c1-2-26-21(25)22(19-11-7-4-8-12-19)13-15-23(16-14-22)17-20(24)18-9-5-3-6-10-18/h3-12H,2,13-17H2,1H3

InChIKey

XFKPHSMWBQJLCT-UHFFFAOYSA-N

Compound name

ethyl 1-phenacyl-4-phenylpiperidine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 351.18344 Da
Monoisotopic Mass: 3.9
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]+	352.190716	186.8
[M+Na]+	374.172658	189.7
[M-H]-	350.176164	193.4
[M+NH4]+	369.217263	198.9
[M+K]+	390.146598	185.7
[M+H-H2O]+	334.180700	176.3
[M+HCOO]-	396.181641	203.0
[M+CH3COO]-	410.197291	211.7
[M+Na-2H]-	372.158106	187.9
[M]+	351.18289142	184.2
[M]-	351.18398858	184.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe