CID 214545

33422-53-6

Structural Information

Molecular Formula

C₂₀H₂₁NO₄

SMILES

CN1CCCC(C1)(C(=O)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)O

InChI

InChI=1S/C20H21NO4/c1-21-13-5-12-20(14-21,18(23)15-6-3-2-4-7-15)25-19(24)16-8-10-17(22)11-9-16/h2-4,6-11,22H,5,12-14H2,1H3

InChIKey

IZJBOFBEUVFKHN-UHFFFAOYSA-N

Compound name

(3-benzoyl-1-methylpiperidin-3-yl) 4-hydroxybenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 339.14706 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]+	340.154336	180.6
[M+Na]+	362.136278	184.8
[M-H]-	338.139784	186.8
[M+NH4]+	357.180883	192.8
[M+K]+	378.110218	181.3
[M+H-H2O]+	322.144320	171.1
[M+HCOO]-	384.145261	196.3
[M+CH3COO]-	398.160911	206.8
[M+Na-2H]-	360.121726	182.0
[M]+	339.14651142	177.5
[M]-	339.14760858	177.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe