Brn 3638386 (C24H24N4O5S)

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)NCCO

InChI

InChI=1S/C24H24N4O5S/c1-33-21-14-15(28-34(2,31)32)10-11-20(21)27-22-16-6-3-4-9-19(16)26-23-17(22)7-5-8-18(23)24(30)25-12-13-29/h3-11,14,28-29H,12-13H2,1-2H3,(H,25,30)(H,26,27)

InChIKey

AZPPIAUJAHJUSZ-UHFFFAOYSA-N

Compound name

N-(2-hydroxyethyl)-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]+	481.154006	208.6
[M+Na]+	503.135948	214.9
[M-H]-	479.139454	214.1
[M+NH4]+	498.180553	215.3
[M+K]+	519.109888	209.5
[M+H-H2O]+	463.143990	198.6
[M+HCOO]-	525.144931	223.9
[M+CH3COO]-	539.160581	242.0
[M+Na-2H]-	501.121396	216.4
[M]+	480.14618142	214.3
[M]-	480.14727858	214.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

481.154006

208.6

[M+Na]+

503.135948

214.9

[M-H]-

479.139454

214.1

[M+NH4]+

498.180553

215.3

[M+K]+

519.109888

209.5

[M+H-H2O]+

463.143990

198.6

[M+HCOO]-

525.144931

223.9

[M+CH3COO]-

539.160581

242.0

[M+Na-2H]-

501.121396

216.4

[M]+

480.14618142

214.3

[M]-

480.14727858

214.3

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

Brn 3638386

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe