PubChemLite - 83399-81-9 (C28H28N4O5S)

Structural Information

Molecular Formula

SMILES

CCOC1=CC=CC=C1NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=C(C=CC(=C4)S(=O)(=O)N(C)C)C

InChI

InChI=1S/C28H28N4O5S/c1-5-37-25-13-9-8-12-23(25)29-28(34)22-16-19-10-6-7-11-21(19)26(27(22)33)31-30-24-17-20(15-14-18(24)2)38(35,36)32(3)4/h6-17,33H,5H2,1-4H3,(H,29,34)

InChIKey

IJSNKMYMVCHZJC-UHFFFAOYSA-N

Compound name

4-[[5-(dimethylsulfamoyl)-2-methylphenyl]diazenyl]-N-(2-ethoxyphenyl)-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]+	533.18532	227.2
[M+Na]+	555.16726	231.9
[M-H]-	531.17076	239.5
[M+NH4]+	550.21186	233.4
[M+K]+	571.14120	228.8
[M+H-H2O]+	515.17530	215.3
[M+HCOO]-	577.17624	246.9
[M+CH3COO]-	591.19189	261.6
[M+Na-2H]-	553.15271	230.9
[M]+	532.17749	234.4
[M]-	532.17859	234.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

533.18532

227.2

[M+Na]+

555.16726

231.9

[M-H]-

531.17076

239.5

[M+NH4]+

550.21186

233.4

[M+K]+

571.14120

228.8

[M+H-H2O]+

515.17530

215.3

[M+HCOO]-

577.17624

246.9

[M+CH3COO]-

591.19189

261.6

[M+Na-2H]-

553.15271

230.9

[M]+

532.17749

234.4

[M]-

532.17859

234.4

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

83399-81-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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