PubChemLite - Nsc687763 (C24H17Cl4N3O4S)

Structural Information

Molecular Formula

SMILES

C1=CC(=C(C(=C1)Cl)NCC(=O)NC2C=CC3=C(C2=O)C=C(C=C3)S(=O)(=O)NC4=C(C=CC=C4Cl)Cl)Cl

InChI

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

InChIKey

AAHVZBOFTGNEMJ-UHFFFAOYSA-N

Compound name

2-(2,6-dichloroanilino)-N-[7-[(2,6-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.

Nsc687763

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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