PubChemLite - 4-(6-chloro-2-methoxy-acridin-9-ylamino)-n-(5-methyl-isoxazol-3-yl)-benzenesulfonamide (C24H19ClN4O4S)

Structural Information

Molecular Formula

SMILES

CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=C(C=CC4=NC5=C3C=CC(=C5)Cl)OC

InChI

InChI=1S/C24H19ClN4O4S/c1-14-11-23(28-33-14)29-34(30,31)18-7-4-16(5-8-18)26-24-19-9-3-15(25)12-22(19)27-21-10-6-17(32-2)13-20(21)24/h3-13H,1-2H3,(H,26,27)(H,28,29)

InChIKey

PJQFWZIIYBYDHI-UHFFFAOYSA-N

Compound name

4-[(6-chloro-2-methoxyacridin-9-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide

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]+	495.08882	215.7
[M+Na]+	517.07076	227.3
[M-H]-	493.07426	226.8
[M+NH4]+	512.11536	223.6
[M+K]+	533.04470	221.3
[M+H-H2O]+	477.07880	206.6
[M+HCOO]-	539.07974	228.0
[M+CH3COO]-	553.09539	225.1
[M+Na-2H]-	515.05621	221.6
[M]+	494.08099	226.2
[M]-	494.08209	226.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

495.08882

215.7

[M+Na]+

517.07076

227.3

[M-H]-

493.07426

226.8

[M+NH4]+

512.11536

223.6

[M+K]+

533.04470

221.3

[M+H-H2O]+

477.07880

206.6

[M+HCOO]-

539.07974

228.0

[M+CH3COO]-

553.09539

225.1

[M+Na-2H]-

515.05621

221.6

[M]+

494.08099

226.2

[M]-

494.08209

226.2

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

4-(6-chloro-2-methoxy-acridin-9-ylamino)-n-(5-methyl-isoxazol-3-yl)-benzenesulfonamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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