PubChemLite - 93859-24-6 (C26H21ClN4O4)

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)N)OC

InChI

InChI=1S/C26H21ClN4O4/c1-14-7-9-17(27)13-20(14)29-26(34)19-11-15-5-3-4-6-18(15)23(24(19)32)31-30-21-12-16(25(28)33)8-10-22(21)35-2/h3-13,32H,1-2H3,(H2,28,33)(H,29,34)

InChIKey

WIJSSSVUDKBGNP-UHFFFAOYSA-N

Compound name

4-[(5-carbamoyl-2-methoxyphenyl)diazenyl]-N-(5-chloro-2-methylphenyl)-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]+	489.13240	218.0
[M+Na]+	511.11434	225.3
[M-H]-	487.11784	229.8
[M+NH4]+	506.15894	226.2
[M+K]+	527.08828	220.5
[M+H-H2O]+	471.12238	207.4
[M+HCOO]-	533.12332	238.5
[M+CH3COO]-	547.13897	252.8
[M+Na-2H]-	509.09979	219.3
[M]+	488.12457	223.1
[M]-	488.12567	223.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

489.13240

218.0

[M+Na]+

511.11434

225.3

[M-H]-

487.11784

229.8

[M+NH4]+

506.15894

226.2

[M+K]+

527.08828

220.5

[M+H-H2O]+

471.12238

207.4

[M+HCOO]-

533.12332

238.5

[M+CH3COO]-

547.13897

252.8

[M+Na-2H]-

509.09979

219.3

[M]+

488.12457

223.1

[M]-

488.12567

223.1

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

93859-24-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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