PubChemLite - 2-naphthalenecarboxamide, 4-[[2-chloro-5-[[(2,4,5-trichlorophenyl)amino]carbonyl]phenyl]azo]-3-hydroxy-n-1-naphthalenyl- (C34H20Cl4N4O3)

Structural Information

Molecular Formula

SMILES

C1=CC=C2C(=C1)C=CC=C2NC(=O)C3=CC4=CC=CC=C4C(=C3O)N=NC5=C(C=CC(=C5)C(=O)NC6=CC(=C(C=C6Cl)Cl)Cl)Cl

InChI

InChI=1S/C34H20Cl4N4O3/c35-24-13-12-20(33(44)40-29-17-26(37)25(36)16-27(29)38)15-30(24)41-42-31-22-10-4-2-7-19(22)14-23(32(31)43)34(45)39-28-11-5-8-18-6-1-3-9-21(18)28/h1-17,43H,(H,39,45)(H,40,44)

InChIKey

JMKYXIXWWSRPBF-UHFFFAOYSA-N

Compound name

4-[[2-chloro-5-[(2,4,5-trichlorophenyl)carbamoyl]phenyl]diazenyl]-3-hydroxy-N-naphthalen-1-ylnaphthalene-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]+	673.03621	248.4
[M+Na]+	695.01815	257.0
[M-H]-	671.02165	259.2
[M+NH4]+	690.06275	251.4
[M+K]+	710.99209	251.3
[M+H-H2O]+	655.02619	237.8
[M+HCOO]-	717.02713	252.9
[M+CH3COO]-	731.04278	253.2
[M+Na-2H]-	693.00360	249.0
[M]+	672.02838	257.5
[M]-	672.02948	257.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

673.03621

248.4

[M+Na]+

695.01815

257.0

[M-H]-

671.02165

259.2

[M+NH4]+

690.06275

251.4

[M+K]+

710.99209

251.3

[M+H-H2O]+

655.02619

237.8

[M+HCOO]-

717.02713

252.9

[M+CH3COO]-

731.04278

253.2

[M+Na-2H]-

693.00360

249.0

[M]+

672.02838

257.5

[M]-

672.02948

257.5

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

2-naphthalenecarboxamide, 4-[[2-chloro-5-[[(2,4,5-trichlorophenyl)amino]carbonyl]phenyl]azo]-3-hydroxy-n-1-naphthalenyl-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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