PubChemLite - 83682-26-2 (C27H25ClN4O4S)

Structural Information

Molecular Formula

SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)N=NC2=C(C(=CC3=CC=CC=C32)C(=O)NC4=C(C=C(C=C4)Cl)C)O

InChI

InChI=1S/C27H25ClN4O4S/c1-16-9-11-20(37(35,36)32(3)4)15-24(16)30-31-25-21-8-6-5-7-18(21)14-22(26(25)33)27(34)29-23-12-10-19(28)13-17(23)2/h5-15,33H,1-4H3,(H,29,34)

InChIKey

NSTSGPYVQXURPN-UHFFFAOYSA-N

Compound name

N-(4-chloro-2-methylphenyl)-4-[[5-(dimethylsulfamoyl)-2-methylphenyl]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]+	537.13578	228.3
[M+Na]+	559.11772	235.5
[M-H]-	535.12122	241.4
[M+NH4]+	554.16232	235.9
[M+K]+	575.09166	230.7
[M+H-H2O]+	519.12576	218.1
[M+HCOO]-	581.12670	243.9
[M+CH3COO]-	595.14235	261.0
[M+Na-2H]-	557.10317	231.0
[M]+	536.12795	237.2
[M]-	536.12905	237.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

537.13578

228.3

[M+Na]+

559.11772

235.5

[M-H]-

535.12122

241.4

[M+NH4]+

554.16232

235.9

[M+K]+

575.09166

230.7

[M+H-H2O]+

519.12576

218.1

[M+HCOO]-

581.12670

243.9

[M+CH3COO]-

595.14235

261.0

[M+Na-2H]-

557.10317

231.0

[M]+

536.12795

237.2

[M]-

536.12905

237.2

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

83682-26-2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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