PubChemLite - 2-naphthalenecarboxamide, n-(4-chlorophenyl)-4-(2-(2,5-dichloro-4-((dimethylamino)sulfonyl)phenyl)diazenyl)-3-hydroxy- (C25H19Cl3N4O4S)

Structural Information

Molecular Formula

SMILES

CN(C)S(=O)(=O)C1=C(C=C(C(=C1)Cl)N=NC2=C(C(=CC3=CC=CC=C32)C(=O)NC4=CC=C(C=C4)Cl)O)Cl

InChI

InChI=1S/C25H19Cl3N4O4S/c1-32(2)37(35,36)22-13-19(27)21(12-20(22)28)30-31-23-17-6-4-3-5-14(17)11-18(24(23)33)25(34)29-16-9-7-15(26)8-10-16/h3-13,33H,1-2H3,(H,29,34)

InChIKey

ATWVGPGDGCEMSO-UHFFFAOYSA-N

Compound name

N-(4-chlorophenyl)-4-[[2,5-dichloro-4-(dimethylsulfamoyl)phenyl]diazenyl]-3-hydroxynaphthalene-2-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]+	577.02658	228.9
[M+Na]+	599.00852	237.2
[M-H]-	575.01202	240.6
[M+NH4]+	594.05312	236.1
[M+K]+	614.98246	232.2
[M+H-H2O]+	559.01656	221.2
[M+HCOO]-	621.01750	235.5
[M+CH3COO]-	635.03315	261.3
[M+Na-2H]-	596.99397	231.1
[M]+	576.01875	239.8
[M]-	576.01985	239.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

577.02658

228.9

[M+Na]+

599.00852

237.2

[M-H]-

575.01202

240.6

[M+NH4]+

594.05312

236.1

[M+K]+

614.98246

232.2

[M+H-H2O]+

559.01656

221.2

[M+HCOO]-

621.01750

235.5

[M+CH3COO]-

635.03315

261.3

[M+Na-2H]-

596.99397

231.1

[M]+

576.01875

239.8

[M]-

576.01985

239.8

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

2-naphthalenecarboxamide, n-(4-chlorophenyl)-4-(2-(2,5-dichloro-4-((dimethylamino)sulfonyl)phenyl)diazenyl)-3-hydroxy-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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