PubChemLite - 1-(2,5-dichloro-4-(n-methylsulfamoyl)phenylazo)-2-hydroxy-n-(2-tolyl)-3-naphthamide (C25H20Cl2N4O4S)

Structural Information

Molecular Formula

SMILES

CC1=CC=CC=C1NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=CC(=C(C=C4Cl)S(=O)(=O)NC)Cl

InChI

InChI=1S/C25H20Cl2N4O4S/c1-14-7-3-6-10-20(14)29-25(33)17-11-15-8-4-5-9-16(15)23(24(17)32)31-30-21-12-19(27)22(13-18(21)26)36(34,35)28-2/h3-13,28,32H,1-2H3,(H,29,33)

InChIKey

YCYYIMYGRULBKO-UHFFFAOYSA-N

Compound name

4-[[2,5-dichloro-4-(methylsulfamoyl)phenyl]diazenyl]-3-hydroxy-N-(2-methylphenyl)naphthalene-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]+	543.06548	224.9
[M+Na]+	565.04742	233.3
[M-H]-	541.05092	236.4
[M+NH4]+	560.09202	232.5
[M+K]+	581.02136	226.9
[M+H-H2O]+	525.05546	216.4
[M+HCOO]-	587.05640	236.1
[M+CH3COO]-	601.07205	255.7
[M+Na-2H]-	563.03287	228.5
[M]+	542.05765	233.8
[M]-	542.05875	233.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

543.06548

224.9

[M+Na]+

565.04742

233.3

[M-H]-

541.05092

236.4

[M+NH4]+

560.09202

232.5

[M+K]+

581.02136

226.9

[M+H-H2O]+

525.05546

216.4

[M+HCOO]-

587.05640

236.1

[M+CH3COO]-

601.07205

255.7

[M+Na-2H]-

563.03287

228.5

[M]+

542.05765

233.8

[M]-

542.05875

233.8

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

1-(2,5-dichloro-4-(n-methylsulfamoyl)phenylazo)-2-hydroxy-n-(2-tolyl)-3-naphthamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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