PubChemLite - Einecs 223-747-6 (C27H24N4O4)

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=C(C=C(C=C4)OC)C)O

InChI

InChI=1S/C27H24N4O4/c1-15-8-9-18(26(28)33)14-23(15)30-31-24-20-7-5-4-6-17(20)13-21(25(24)32)27(34)29-22-11-10-19(35-3)12-16(22)2/h4-14,32H,1-3H3,(H2,28,33)(H,29,34)

InChIKey

PRULGZSPPPDLDT-UHFFFAOYSA-N

Compound name

4-[(5-carbamoyl-2-methylphenyl)diazenyl]-3-hydroxy-N-(4-methoxy-2-methylphenyl)naphthalene-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]+	469.18703	214.8
[M+Na]+	491.16897	220.7
[M-H]-	467.17247	226.5
[M+NH4]+	486.21357	222.7
[M+K]+	507.14291	217.1
[M+H-H2O]+	451.17701	203.0
[M+HCOO]-	513.17795	239.2
[M+CH3COO]-	527.19360	252.5
[M+Na-2H]-	489.15442	216.0
[M]+	468.17920	217.3
[M]-	468.18030	217.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

469.18703

214.8

[M+Na]+

491.16897

220.7

[M-H]-

467.17247

226.5

[M+NH4]+

486.21357

222.7

[M+K]+

507.14291

217.1

[M+H-H2O]+

451.17701

203.0

[M+HCOO]-

513.17795

239.2

[M+CH3COO]-

527.19360

252.5

[M+Na-2H]-

489.15442

216.0

[M]+

468.17920

217.3

[M]-

468.18030

217.3

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

Einecs 223-747-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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