PubChemLite - N-(5-chloro-2-methylphenyl)-3-hydroxy-4-[[2-methoxy-5-[(phenylamino)carbonyl]phenyl]azo]naphthalene-2-carboxamide (C32H25ClN4O4)

Structural Information

Molecular Formula

SMILES

CC1=C(C=C(C=C1)Cl)NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5)OC

InChI

InChI=1S/C32H25ClN4O4/c1-19-12-14-22(33)18-26(19)35-32(40)25-16-20-8-6-7-11-24(20)29(30(25)38)37-36-27-17-21(13-15-28(27)41-2)31(39)34-23-9-4-3-5-10-23/h3-18,38H,1-2H3,(H,34,39)(H,35,40)

InChIKey

WWPCXBSKDSUELS-UHFFFAOYSA-N

Compound name

N-(5-chloro-2-methylphenyl)-3-hydroxy-4-[[2-methoxy-5-(phenylcarbamoyl)phenyl]diazenyl]naphthalene-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]+	565.16371	237.3
[M+Na]+	587.14565	242.8
[M-H]-	563.14915	251.4
[M+NH4]+	582.19025	241.7
[M+K]+	603.11959	237.3
[M+H-H2O]+	547.15369	224.3
[M+HCOO]-	609.15463	257.0
[M+CH3COO]-	623.17028	244.1
[M+Na-2H]-	585.13110	239.1
[M]+	564.15588	242.4
[M]-	564.15698	242.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

565.16371

237.3

[M+Na]+

587.14565

242.8

[M-H]-

563.14915

251.4

[M+NH4]+

582.19025

241.7

[M+K]+

603.11959

237.3

[M+H-H2O]+

547.15369

224.3

[M+HCOO]-

609.15463

257.0

[M+CH3COO]-

623.17028

244.1

[M+Na-2H]-

585.13110

239.1

[M]+

564.15588

242.4

[M]-

564.15698

242.4

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

N-(5-chloro-2-methylphenyl)-3-hydroxy-4-[[2-methoxy-5-[(phenylamino)carbonyl]phenyl]azo]naphthalene-2-carboxamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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