PubChemLite - Einecs 240-480-0 (C25H19ClN4O3)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C25H19ClN4O3/c1-14-6-7-16(24(27)32)13-21(14)29-30-22-19-5-3-2-4-15(19)12-20(23(22)31)25(33)28-18-10-8-17(26)9-11-18/h2-13,31H,1H3,(H2,27,32)(H,28,33)

InChIKey

WOMXYSXYGGUMHS-UHFFFAOYSA-N

Compound name

4-[(5-carbamoyl-2-methylphenyl)diazenyl]-N-(4-chlorophenyl)-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]+	459.12184	210.3
[M+Na]+	481.10378	217.6
[M-H]-	457.10728	221.9
[M+NH4]+	476.14838	219.6
[M+K]+	497.07772	211.8
[M+H-H2O]+	441.11182	200.0
[M+HCOO]-	503.11276	231.1
[M+CH3COO]-	517.12841	246.3
[M+Na-2H]-	479.08923	212.6
[M]+	458.11401	213.4
[M]-	458.11511	213.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

459.12184

210.3

[M+Na]+

481.10378

217.6

[M-H]-

457.10728

221.9

[M+NH4]+

476.14838

219.6

[M+K]+

497.07772

211.8

[M+H-H2O]+

441.11182

200.0

[M+HCOO]-

503.11276

231.1

[M+CH3COO]-

517.12841

246.3

[M+Na-2H]-

479.08923

212.6

[M]+

458.11401

213.4

[M]-

458.11511

213.4

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

Einecs 240-480-0

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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