PubChemLite - 4-[[5-[[[4-(aminocarbonyl)phenyl]amino]carbonyl]-2-methoxyphenyl]azo]-n-(5-chloro-2,4-dimethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide (C34H28ClN5O7)

Structural Information

Molecular Formula

SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)N)N=NC3=C(C(=CC4=CC=CC=C43)C(=O)NC5=CC(=C(C=C5OC)OC)Cl)O

InChI

InChI=1S/C34H28ClN5O7/c1-45-27-13-10-20(33(43)37-21-11-8-18(9-12-21)32(36)42)15-26(27)39-40-30-22-7-5-4-6-19(22)14-23(31(30)41)34(44)38-25-16-24(35)28(46-2)17-29(25)47-3/h4-17,41H,1-3H3,(H2,36,42)(H,37,43)(H,38,44)

InChIKey

DZYFEMTUCDZMSP-UHFFFAOYSA-N

Compound name

4-[[5-[(4-carbamoylphenyl)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]+	654.17498	254.8
[M+Na]+	676.15692	258.6
[M-H]-	652.16042	268.7
[M+NH4]+	671.20152	254.9
[M+K]+	692.13086	257.2
[M+H-H2O]+	636.16496	241.4
[M+HCOO]-	698.16590	273.6
[M+CH3COO]-	712.18155	286.0
[M+Na-2H]-	674.14237	254.2
[M]+	653.16715	262.6
[M]-	653.16825	262.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

654.17498

254.8

[M+Na]+

676.15692

258.6

[M-H]-

652.16042

268.7

[M+NH4]+

671.20152

254.9

[M+K]+

692.13086

257.2

[M+H-H2O]+

636.16496

241.4

[M+HCOO]-

698.16590

273.6

[M+CH3COO]-

712.18155

286.0

[M+Na-2H]-

674.14237

254.2

[M]+

653.16715

262.6

[M]-

653.16825

262.6

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

4-[[5-[[[4-(aminocarbonyl)phenyl]amino]carbonyl]-2-methoxyphenyl]azo]-n-(5-chloro-2,4-dimethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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