PubChemLite - Einecs 266-763-9 (C26H21ClN4O5)

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=C(C=C(C=C4)Cl)OC)O

InChI

InChI=1S/C26H21ClN4O5/c1-35-21-10-7-15(25(28)33)12-20(21)30-31-23-17-6-4-3-5-14(17)11-18(24(23)32)26(34)29-19-9-8-16(27)13-22(19)36-2/h3-13,32H,1-2H3,(H2,28,33)(H,29,34)

InChIKey

XELAQUCFCFVEEV-UHFFFAOYSA-N

Compound name

4-[(5-carbamoyl-2-methoxyphenyl)diazenyl]-N-(4-chloro-2-methoxyphenyl)-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]+	505.12734	219.9
[M+Na]+	527.10928	226.8
[M-H]-	503.11278	231.6
[M+NH4]+	522.15388	227.2
[M+K]+	543.08322	222.9
[M+H-H2O]+	487.11732	209.0
[M+HCOO]-	549.11826	240.5
[M+CH3COO]-	563.13391	255.1
[M+Na-2H]-	525.09473	221.4
[M]+	504.11951	226.3
[M]-	504.12061	226.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

505.12734

219.9

[M+Na]+

527.10928

226.8

[M-H]-

503.11278

231.6

[M+NH4]+

522.15388

227.2

[M+K]+

543.08322

222.9

[M+H-H2O]+

487.11732

209.0

[M+HCOO]-

549.11826

240.5

[M+CH3COO]-

563.13391

255.1

[M+Na-2H]-

525.09473

221.4

[M]+

504.11951

226.3

[M]-

504.12061

226.3

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

Einecs 266-763-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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