PubChemLite - 1-pentanesulfonanilide, 3'-methoxy-4'-(3-nitro-9-acridinylamino)-, hydrochloride (C25H26N4O5S)

Structural Information

Molecular Formula

SMILES

CCCCCS(=O)(=O)NC1=CC(=C(C=C1)NC2=C3C=CC(=CC3=NC4=CC=CC=C42)[N+](=O)[O-])OC

InChI

InChI=1S/C25H26N4O5S/c1-3-4-7-14-35(32,33)28-17-10-13-22(24(15-17)34-2)27-25-19-8-5-6-9-21(19)26-23-16-18(29(30)31)11-12-20(23)25/h5-6,8-13,15-16,28H,3-4,7,14H2,1-2H3,(H,26,27)

InChIKey

IMWSLXHEWYYRMA-UHFFFAOYSA-N

Compound name

N-[3-methoxy-4-[(3-nitroacridin-9-yl)amino]phenyl]pentane-1-sulfonamide

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	212.8
[M+Na]+	517.15160	217.3
[M-H]-	493.15510	219.1
[M+NH4]+	512.19620	218.7
[M+K]+	533.12554	207.2
[M+H-H2O]+	477.15964	206.0
[M+HCOO]-	539.16058	229.2
[M+CH3COO]-	553.17623	238.4
[M+Na-2H]-	515.13705	222.7
[M]+	494.16183	217.4
[M]-	494.16293	217.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

495.16966

212.8

[M+Na]+

517.15160

217.3

[M-H]-

493.15510

219.1

[M+NH4]+

512.19620

218.7

[M+K]+

533.12554

207.2

[M+H-H2O]+

477.15964

206.0

[M+HCOO]-

539.16058

229.2

[M+CH3COO]-

553.17623

238.4

[M+Na-2H]-

515.13705

222.7

[M]+

494.16183

217.4

[M]-

494.16293

217.4

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

1-pentanesulfonanilide, 3'-methoxy-4'-(3-nitro-9-acridinylamino)-, hydrochloride

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe