PubChemLite - Methanesulfonanilide, 3'-methoxy-4'-((4-(2-(methylenecarbamoyl)ethyl)-9-acridinyl)amino)- (C25H24N4O4S)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C25H24N4O4S/c1-26-23(30)14-11-16-7-6-9-19-24(16)27-20-10-5-4-8-18(20)25(19)28-21-13-12-17(15-22(21)33-2)29-34(3,31)32/h4-10,12-13,15,29H,1,11,14H2,2-3H3,(H,27,28)

InChIKey

YXDMRYXBSBXFML-UHFFFAOYSA-N

Compound name

3-[9-[4-(methanesulfonamido)-2-methoxyanilino]acridin-4-yl]-N-methylidenepropanamide

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]+	477.15910	212.3
[M+Na]+	499.14104	219.8
[M-H]-	475.14454	220.4
[M+NH4]+	494.18564	220.6
[M+K]+	515.11498	214.1
[M+H-H2O]+	459.14908	201.6
[M+HCOO]-	521.15002	230.2
[M+CH3COO]-	535.16567	245.9
[M+Na-2H]-	497.12649	219.5
[M]+	476.15127	219.7
[M]-	476.15237	219.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

477.15910

212.3

[M+Na]+

499.14104

219.8

[M-H]-

475.14454

220.4

[M+NH4]+

494.18564

220.6

[M+K]+

515.11498

214.1

[M+H-H2O]+

459.14908

201.6

[M+HCOO]-

521.15002

230.2

[M+CH3COO]-

535.16567

245.9

[M+Na-2H]-

497.12649

219.5

[M]+

476.15127

219.7

[M]-

476.15237

219.7

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

Methanesulfonanilide, 3'-methoxy-4'-((4-(2-(methylenecarbamoyl)ethyl)-9-acridinyl)amino)-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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