PubChemLite - N-allyl-4-piperidyl n-(7-chloro-4-quinolyl)anthraniloyloxyacetate (C26H26ClN3O4)

Structural Information

Molecular Formula

SMILES

C=CCN1CCC(CC1)OC(=O)COC(=O)C2=CC=CC=C2NC3=C4C=CC(=CC4=NC=C3)Cl

InChI

InChI=1S/C26H26ClN3O4/c1-2-13-30-14-10-19(11-15-30)34-25(31)17-33-26(32)21-5-3-4-6-22(21)29-23-9-12-28-24-16-18(27)7-8-20(23)24/h2-9,12,16,19H,1,10-11,13-15,17H2,(H,28,29)

InChIKey

NDUGXSQEVKPTFA-UHFFFAOYSA-N

Compound name

[2-oxo-2-(1-prop-2-enylpiperidin-4-yl)oxyethyl] 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]+	480.16848	213.8
[M+Na]+	502.15042	217.6
[M-H]-	478.15392	219.8
[M+NH4]+	497.19502	219.0
[M+K]+	518.12436	210.9
[M+H-H2O]+	462.15846	201.6
[M+HCOO]-	524.15940	223.5
[M+CH3COO]-	538.17505	237.5
[M+Na-2H]-	500.13587	213.6
[M]+	479.16065	215.0
[M]-	479.16175	215.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

480.16848

213.8

[M+Na]+

502.15042

217.6

[M-H]-

478.15392

219.8

[M+NH4]+

497.19502

219.0

[M+K]+

518.12436

210.9

[M+H-H2O]+

462.15846

201.6

[M+HCOO]-

524.15940

223.5

[M+CH3COO]-

538.17505

237.5

[M+Na-2H]-

500.13587

213.6

[M]+

479.16065

215.0

[M]-

479.16175

215.0

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

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

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe