PubChemLite - N-benzyl-4-piperidyl n-(7-chloro-4-quinolyl)anthraniloyloxyacetate (C30H28ClN3O4)

Structural Information

Molecular Formula

SMILES

C1CN(CCC1OC(=O)COC(=O)C2=CC=CC=C2NC3=C4C=CC(=CC4=NC=C3)Cl)CC5=CC=CC=C5

InChI

InChI=1S/C30H28ClN3O4/c31-22-10-11-24-27(12-15-32-28(24)18-22)33-26-9-5-4-8-25(26)30(36)37-20-29(35)38-23-13-16-34(17-14-23)19-21-6-2-1-3-7-21/h1-12,15,18,23H,13-14,16-17,19-20H2,(H,32,33)

InChIKey

KXLCKJVXPSXCDY-UHFFFAOYSA-N

Compound name

[2-(1-benzylpiperidin-4-yl)oxy-2-oxoethyl] 2-[(7-chloroquinolin-4-yl)amino]benzoate

Related CIDs

2D Structure

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]+	530.18408	225.5
[M+Na]+	552.16602	228.0
[M-H]-	528.16952	233.9
[M+NH4]+	547.21062	227.8
[M+K]+	568.13996	221.2
[M+H-H2O]+	512.17406	211.2
[M+HCOO]-	574.17500	234.5
[M+CH3COO]-	588.19065	230.2
[M+Na-2H]-	550.15147	225.6
[M]+	529.17625	225.8
[M]-	529.17735	225.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

530.18408

225.5

[M+Na]+

552.16602

228.0

[M-H]-

528.16952

233.9

[M+NH4]+

547.21062

227.8

[M+K]+

568.13996

221.2

[M+H-H2O]+

512.17406

211.2

[M+HCOO]-

574.17500

234.5

[M+CH3COO]-

588.19065

230.2

[M+Na-2H]-

550.15147

225.6

[M]+

529.17625

225.8

[M]-

529.17735

225.8

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

N-benzyl-4-piperidyl n-(7-chloro-4-quinolyl)anthraniloyloxyacetate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe