CID 36471

33422-61-6

Structural Information

Molecular Formula

C₂₂H₂₅NO₃

SMILES

C1CC(CN(C1)CCCOC(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H25NO3/c24-21(18-9-3-1-4-10-18)20-13-7-14-23(17-20)15-8-16-26-22(25)19-11-5-2-6-12-19/h1-6,9-12,20H,7-8,13-17H2

InChIKey

HWBFAQAMUXLFPQ-UHFFFAOYSA-N

Compound name

3-(3-benzoylpiperidin-1-yl)propyl benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 351.18344 Da
Monoisotopic Mass: 4.0
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	186.0
[M+Na]+	374.172658	187.8
[M-H]-	350.176164	192.2
[M+NH4]+	369.217263	195.9
[M+K]+	390.146598	183.4
[M+H-H2O]+	334.180700	175.1
[M+HCOO]-	396.181641	202.1
[M+CH3COO]-	410.197291	212.2
[M+Na-2H]-	372.158106	186.1
[M]+	351.18289142	183.0
[M]-	351.18398858	183.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.