PubChemLite - Ferrate(1-), bis(4-((5-chloro-2-(hydroxy-kappao)phenyl)azo-kappan1)-3-(hydroxy-kappao)-n-phenyl-2-naphthalenecarboxamidato(2-))-, ammonium (C23H16ClN3O3)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=C(C=CC(=C4)Cl)O

InChI

InChI=1S/C23H16ClN3O3/c24-15-10-11-20(28)19(13-15)26-27-21-17-9-5-4-6-14(17)12-18(22(21)29)23(30)25-16-7-2-1-3-8-16/h1-13,28-29H,(H,25,30)

InChIKey

DUGZYCYBXWLQDR-UHFFFAOYSA-N

Compound name

4-[(5-chloro-2-hydroxyphenyl)diazenyl]-3-hydroxy-N-phenylnaphthalene-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]+	418.09528	196.8
[M+Na]+	440.07722	204.7
[M-H]-	416.08072	207.6
[M+NH4]+	435.12182	207.6
[M+K]+	456.05116	198.2
[M+H-H2O]+	400.08526	187.0
[M+HCOO]-	462.08620	217.3
[M+CH3COO]-	476.10185	206.6
[M+Na-2H]-	438.06267	202.0
[M]+	417.08745	199.8
[M]-	417.08855	199.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

418.09528

196.8

[M+Na]+

440.07722

204.7

[M-H]-

416.08072

207.6

[M+NH4]+

435.12182

207.6

[M+K]+

456.05116

198.2

[M+H-H2O]+

400.08526

187.0

[M+HCOO]-

462.08620

217.3

[M+CH3COO]-

476.10185

206.6

[M+Na-2H]-

438.06267

202.0

[M]+

417.08745

199.8

[M]-

417.08855

199.8

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

Ferrate(1-), bis(4-((5-chloro-2-(hydroxy-kappao)phenyl)azo-kappan1)-3-(hydroxy-kappao)-n-phenyl-2-naphthalenecarboxamidato(2-))-, ammonium

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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