CID 3038920

Piperidine, 1-((4-benzoylphenoxy)acetyl)-

Structural Information

Molecular Formula

C₂₀H₂₁NO₃

SMILES

C1CCN(CC1)C(=O)COC2=CC=C(C=C2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H21NO3/c22-19(21-13-5-2-6-14-21)15-24-18-11-9-17(10-12-18)20(23)16-7-3-1-4-8-16/h1,3-4,7-12H,2,5-6,13-15H2

InChIKey

KQYSIFIPXCMPLJ-UHFFFAOYSA-N

Compound name

2-(4-benzoylphenoxy)-1-piperidin-1-ylethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 323.15213 Da
Monoisotopic Mass: 3.2
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]+	324.159406	177.0
[M+Na]+	346.141348	179.7
[M-H]-	322.144854	183.7
[M+NH4]+	341.185953	188.2
[M+K]+	362.115288	175.8
[M+H-H2O]+	306.149390	166.5
[M+HCOO]-	368.150331	193.9
[M+CH3COO]-	382.165981	206.3
[M+Na-2H]-	344.126796	178.2
[M]+	323.15158142	173.4
[M]-	323.15267858	173.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe