PubChemLite - Einecs 269-487-7 (C27H23ClN4O6)

Structural Information

Molecular Formula

SMILES

COC1=C(C=C(C=C1)C(=O)N)N=NC2=C(C(=CC3=CC=CC=C32)C(=O)NC4=CC(=C(C=C4OC)OC)Cl)O

InChI

InChI=1S/C27H23ClN4O6/c1-36-21-9-8-15(26(29)34)11-20(21)31-32-24-16-7-5-4-6-14(16)10-17(25(24)33)27(35)30-19-12-18(28)22(37-2)13-23(19)38-3/h4-13,33H,1-3H3,(H2,29,34)(H,30,35)

InChIKey

DBMMIQSHKXJATR-UHFFFAOYSA-N

Compound name

4-[(5-carbamoyl-2-methoxyphenyl)diazenyl]-N-(5-chloro-2,4-dimethoxyphenyl)-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]+	535.13788	227.2
[M+Na]+	557.11982	234.0
[M-H]-	533.12332	239.0
[M+NH4]+	552.16442	233.4
[M+K]+	573.09376	231.2
[M+H-H2O]+	517.12786	216.0
[M+HCOO]-	579.12880	247.5
[M+CH3COO]-	593.14445	261.7
[M+Na-2H]-	555.10527	227.8
[M]+	534.13005	235.6
[M]-	534.13115	235.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

535.13788

227.2

[M+Na]+

557.11982

234.0

[M-H]-

533.12332

239.0

[M+NH4]+

552.16442

233.4

[M+K]+

573.09376

231.2

[M+H-H2O]+

517.12786

216.0

[M+HCOO]-

579.12880

247.5

[M+CH3COO]-

593.14445

261.7

[M+Na-2H]-

555.10527

227.8

[M]+

534.13005

235.6

[M]-

534.13115

235.6

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

Einecs 269-487-7

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe