PubChemLite - Brn 5321095 (C25H26N4O5S)

Structural Information

Molecular Formula

SMILES

CC(CNC(=O)C1=CC=CC2=C(C3=CC=CC=C3N=C21)NC4=C(C=C(C=C4)NS(=O)(=O)C)OC)O

InChI

InChI=1S/C25H26N4O5S/c1-15(30)14-26-25(31)19-9-6-8-18-23(17-7-4-5-10-20(17)27-24(18)19)28-21-12-11-16(13-22(21)34-2)29-35(3,32)33/h4-13,15,29-30H,14H2,1-3H3,(H,26,31)(H,27,28)

InChIKey

OKHRDVNQASDISB-UHFFFAOYSA-N

Compound name

N-(2-hydroxypropyl)-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]+	495.16966	213.5
[M+Na]+	517.15160	224.9
[M+NH4]+	512.19620	218.1
[M+K]+	533.12554	217.5
[M-H]-	493.15510	217.4
[M+Na-2H]-	515.13705	219.9
[M]+	494.16183	216.5
[M]-	494.16293	216.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

495.16966

213.5

[M+Na]+

517.15160

224.9

[M+NH4]+

512.19620

218.1

[M+K]+

533.12554

217.5

[M-H]-

493.15510

217.4

[M+Na-2H]-

515.13705

219.9

[M]+

494.16183

216.5

[M]-

494.16293

216.5

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

Brn 5321095

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe