PubChemLite - 1-heptanesulfonanilide, 4'-(4-carbamoyl-9-acridinylamino)-3'-methoxy-, hydrochloride (C28H32N4O4S)

Structural Information

Molecular Formula

SMILES

CCCCCCCS(=O)(=O)NC1=CC(=C(C=C1)NC2=C3C=CC=C(C3=NC4=CC=CC=C42)C(=O)N)OC

InChI

InChI=1S/C28H32N4O4S/c1-3-4-5-6-9-17-37(34,35)32-19-15-16-24(25(18-19)36-2)31-26-20-11-7-8-14-23(20)30-27-21(26)12-10-13-22(27)28(29)33/h7-8,10-16,18,32H,3-6,9,17H2,1-2H3,(H2,29,33)(H,30,31)

InChIKey

BSUFSZQGQRNSMY-UHFFFAOYSA-N

Compound name

9-[4-(heptylsulfonylamino)-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]+	521.22168	223.8
[M+Na]+	543.20362	229.0
[M-H]-	519.20712	229.3
[M+NH4]+	538.24822	229.3
[M+K]+	559.17756	222.5
[M+H-H2O]+	503.21166	212.9
[M+HCOO]-	565.21260	238.4
[M+CH3COO]-	579.22825	253.2
[M+Na-2H]-	541.18907	228.6
[M]+	520.21385	230.2
[M]-	520.21495	230.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

521.22168

223.8

[M+Na]+

543.20362

229.0

[M-H]-

519.20712

229.3

[M+NH4]+

538.24822

229.3

[M+K]+

559.17756

222.5

[M+H-H2O]+

503.21166

212.9

[M+HCOO]-

565.21260

238.4

[M+CH3COO]-

579.22825

253.2

[M+Na-2H]-

541.18907

228.6

[M]+

520.21385

230.2

[M]-

520.21495

230.2

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

1-heptanesulfonanilide, 4'-(4-carbamoyl-9-acridinylamino)-3'-methoxy-, hydrochloride

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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