PubChemLite - 64346-10-7 (C26H22ClN3O5)

Structural Information

Molecular Formula

SMILES

COC1=CC(=C(C=C1)OC)NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=C(C=CC(=C4)Cl)OC

InChI

InChI=1S/C26H22ClN3O5/c1-33-17-9-11-22(34-2)20(14-17)28-26(32)19-12-15-6-4-5-7-18(15)24(25(19)31)30-29-21-13-16(27)8-10-23(21)35-3/h4-14,31H,1-3H3,(H,28,32)

InChIKey

CEOFHVVWPCFTEU-UHFFFAOYSA-N

Compound name

4-[(5-chloro-2-methoxyphenyl)diazenyl]-N-(2,5-dimethoxyphenyl)-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]+	492.13208	217.3
[M+Na]+	514.11402	225.2
[M-H]-	490.11752	229.5
[M+NH4]+	509.15862	226.0
[M+K]+	530.08796	221.1
[M+H-H2O]+	474.12206	206.2
[M+HCOO]-	536.12300	238.3
[M+CH3COO]-	550.13865	249.7
[M+Na-2H]-	512.09947	220.1
[M]+	491.12425	226.4
[M]-	491.12535	226.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

492.13208

217.3

[M+Na]+

514.11402

225.2

[M-H]-

490.11752

229.5

[M+NH4]+

509.15862

226.0

[M+K]+

530.08796

221.1

[M+H-H2O]+

474.12206

206.2

[M+HCOO]-

536.12300

238.3

[M+CH3COO]-

550.13865

249.7

[M+Na-2H]-

512.09947

220.1

[M]+

491.12425

226.4

[M]-

491.12535

226.4

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

64346-10-7

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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