PubChemLite - Einecs 235-464-5 (C26H20ClN5O4)

Structural Information

Molecular Formula

SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=C(C=CC(=C4)C(=O)N)Cl

InChI

InChI=1S/C26H20ClN5O4/c1-14(33)29-17-7-9-18(10-8-17)30-26(36)20-12-15-4-2-3-5-19(15)23(24(20)34)32-31-22-13-16(25(28)35)6-11-21(22)27/h2-13,34H,1H3,(H2,28,35)(H,29,33)(H,30,36)

InChIKey

UHZVOVCIPHZPEI-UHFFFAOYSA-N

Compound name

N-(4-acetamidophenyl)-4-[(5-carbamoyl-2-chlorophenyl)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]+	502.12768	218.9
[M+Na]+	524.10962	224.5
[M-H]-	500.11312	230.3
[M+NH4]+	519.15422	225.9
[M+K]+	540.08356	220.1
[M+H-H2O]+	484.11766	208.4
[M+HCOO]-	546.11860	239.7
[M+CH3COO]-	560.13425	256.6
[M+Na-2H]-	522.09507	220.8
[M]+	501.11985	221.9
[M]-	501.12095	221.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

502.12768

218.9

[M+Na]+

524.10962

224.5

[M-H]-

500.11312

230.3

[M+NH4]+

519.15422

225.9

[M+K]+

540.08356

220.1

[M+H-H2O]+

484.11766

208.4

[M+HCOO]-

546.11860

239.7

[M+CH3COO]-

560.13425

256.6

[M+Na-2H]-

522.09507

220.8

[M]+

501.11985

221.9

[M]-

501.12095

221.9

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

Einecs 235-464-5

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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