PubChemLite - 6410-41-9 (C30H31ClN4O7S)

Structural Information

Molecular Formula

SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC)N=NC2=C(C(=CC3=CC=CC=C32)C(=O)NC4=CC(=C(C=C4OC)OC)Cl)O

InChI

InChI=1S/C30H31ClN4O7S/c1-6-35(7-2)43(38,39)19-12-13-25(40-3)24(15-19)33-34-28-20-11-9-8-10-18(20)14-21(29(28)36)30(37)32-23-16-22(31)26(41-4)17-27(23)42-5/h8-17,36H,6-7H2,1-5H3,(H,32,37)

InChIKey

LMULDSDQRQVZMW-UHFFFAOYSA-N

Compound name

N-(5-chloro-2,4-dimethoxyphenyl)-4-[[5-(diethylsulfamoyl)-2-methoxyphenyl]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]+	627.16748	247.4
[M+Na]+	649.14942	252.3
[M-H]-	625.15292	260.0
[M+NH4]+	644.19402	250.9
[M+K]+	665.12336	250.3
[M+H-H2O]+	609.15746	236.1
[M+HCOO]-	671.15840	262.3
[M+CH3COO]-	685.17405	277.4
[M+Na-2H]-	647.13487	249.6
[M]+	626.15965	261.4
[M]-	626.16075	261.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

627.16748

247.4

[M+Na]+

649.14942

252.3

[M-H]-

625.15292

260.0

[M+NH4]+

644.19402

250.9

[M+K]+

665.12336

250.3

[M+H-H2O]+

609.15746

236.1

[M+HCOO]-

671.15840

262.3

[M+CH3COO]-

685.17405

277.4

[M+Na-2H]-

647.13487

249.6

[M]+

626.15965

261.4

[M]-

626.16075

261.4

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

6410-41-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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