PubChemLite - Chebi:59061 (C24H17Cl4N3O4S)

Structural Information

Molecular Formula

SMILES

C1=CC2=C(C=C(C=C2)S(=O)(=O)NC3=C(C=C(C=C3)Cl)Cl)C(=O)C1NC(=O)CNC4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C24H17Cl4N3O4S/c25-14-3-7-20(18(27)9-14)29-12-23(32)30-22-6-2-13-1-5-16(11-17(13)24(22)33)36(34,35)31-21-8-4-15(26)10-19(21)28/h1-11,22,29,31H,12H2,(H,30,32)

InChIKey

VHWBWHBJEXGPNM-UHFFFAOYSA-N

Compound name

2-(2,4-dichloroanilino)-N-[7-[(2,4-dichlorophenyl)sulfamoyl]-1-oxo-2H-naphthalen-2-yl]acetamide

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]+	583.97664	222.9
[M+Na]+	605.95858	230.5
[M-H]-	581.96208	230.2
[M+NH4]+	601.00318	229.0
[M+K]+	621.93252	224.3
[M+H-H2O]+	565.96662	217.2
[M+HCOO]-	627.96756	220.7
[M+CH3COO]-	641.98321	253.1
[M+Na-2H]-	603.94403	223.3
[M]+	582.96881	229.5
[M]-	582.96991	229.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

583.97664

222.9

[M+Na]+

605.95858

230.5

[M-H]-

581.96208

230.2

[M+NH4]+

601.00318

229.0

[M+K]+

621.93252

224.3

[M+H-H2O]+

565.96662

217.2

[M+HCOO]-

627.96756

220.7

[M+CH3COO]-

641.98321

253.1

[M+Na-2H]-

603.94403

223.3

[M]+

582.96881

229.5

[M]-

582.96991

229.5

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

Chebi:59061

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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