PubChemLite - 83682-25-1 (C25H19Cl2N3O2)

Structural Information

Molecular Formula

SMILES

CC1=C(C(=CC=C1)Cl)N=NC2=C(C(=CC3=CC=CC=C32)C(=O)NC4=C(C=C(C=C4)Cl)C)O

InChI

InChI=1S/C25H19Cl2N3O2/c1-14-6-5-9-20(27)22(14)29-30-23-18-8-4-3-7-16(18)13-19(24(23)31)25(32)28-21-11-10-17(26)12-15(21)2/h3-13,31H,1-2H3,(H,28,32)

InChIKey

GVMQDKQWBDVOMI-UHFFFAOYSA-N

Compound name

N-(4-chloro-2-methylphenyl)-4-[(2-chloro-6-methylphenyl)diazenyl]-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]+	464.09270	212.4
[M+Na]+	486.07464	222.2
[M-H]-	462.07814	223.8
[M+NH4]+	481.11924	223.3
[M+K]+	502.04858	214.6
[M+H-H2O]+	446.08268	202.9
[M+HCOO]-	508.08362	228.3
[M+CH3COO]-	522.09927	221.8
[M+Na-2H]-	484.06009	214.2
[M]+	463.08487	218.9
[M]-	463.08597	218.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

464.09270

212.4

[M+Na]+

486.07464

222.2

[M-H]-

462.07814

223.8

[M+NH4]+

481.11924

223.3

[M+K]+

502.04858

214.6

[M+H-H2O]+

446.08268

202.9

[M+HCOO]-

508.08362

228.3

[M+CH3COO]-

522.09927

221.8

[M+Na-2H]-

484.06009

214.2

[M]+

463.08487

218.9

[M]-

463.08597

218.9

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

83682-25-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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