PubChemLite - Methanesulfonanilide, 4'-(4-carbamoylmethylcarbamoyl-9-acridinylamino)-3'-methoxy-, hydrochloride (C24H23N5O5S)

Structural Information

Molecular Formula

SMILES

COC1=C(C=CC(=C1)NS(=O)(=O)C)NC2=C3C=CC=C(C3=NC4=CC=CC=C42)C(=O)NCC(=O)N

InChI

InChI=1S/C24H23N5O5S/c1-34-20-12-14(29-35(2,32)33)10-11-19(20)28-22-15-6-3-4-9-18(15)27-23-16(22)7-5-8-17(23)24(31)26-13-21(25)30/h3-12,29H,13H2,1-2H3,(H2,25,30)(H,26,31)(H,27,28)

InChIKey

HJPHVYDSLSTSRB-UHFFFAOYSA-N

Compound name

N-(2-amino-2-oxoethyl)-9-[4-(methanesulfonamido)-2-methoxyanilino]acridine-4-carboxamide

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]+	494.14928	210.6
[M+Na]+	516.13122	216.2
[M-H]-	492.13472	216.9
[M+NH4]+	511.17582	216.7
[M+K]+	532.10516	211.8
[M+H-H2O]+	476.13926	200.5
[M+HCOO]-	538.14020	226.8
[M+CH3COO]-	552.15585	249.4
[M+Na-2H]-	514.11667	217.9
[M]+	493.14145	215.3
[M]-	493.14255	215.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

494.14928

210.6

[M+Na]+

516.13122

216.2

[M-H]-

492.13472

216.9

[M+NH4]+

511.17582

216.7

[M+K]+

532.10516

211.8

[M+H-H2O]+

476.13926

200.5

[M+HCOO]-

538.14020

226.8

[M+CH3COO]-

552.15585

249.4

[M+Na-2H]-

514.11667

217.9

[M]+

493.14145

215.3

[M]-

493.14255

215.3

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

Methanesulfonanilide, 4'-(4-carbamoylmethylcarbamoyl-9-acridinylamino)-3'-methoxy-, hydrochloride

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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