76233-81-3 (C32H26N4O4)

Structural Information

Molecular Formula

SMILES

CC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OC)N=NC3=C(C(=CC4=CC=CC=C43)C(=O)NC5=CC=CC=C5)O

InChI

InChI=1S/C32H26N4O4/c1-20-17-27(28(40-2)19-26(20)34-31(38)21-11-5-3-6-12-21)35-36-29-24-16-10-9-13-22(24)18-25(30(29)37)32(39)33-23-14-7-4-8-15-23/h3-19,37H,1-2H3,(H,33,39)(H,34,38)

InChIKey

ZHCVURIUBDGMAR-UHFFFAOYSA-N

Compound name

4-[(4-benzamido-2-methoxy-5-methylphenyl)diazenyl]-3-hydroxy-N-phenylnaphthalene-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]+	531.202706	228.3
[M+Na]+	553.184648	232.0
[M-H]-	529.188154	242.3
[M+NH4]+	548.229253	232.7
[M+K]+	569.158588	227.6
[M+H-H2O]+	513.192690	214.4
[M+HCOO]-	575.193631	252.3
[M+CH3COO]-	589.209281	261.1
[M+Na-2H]-	551.170096	231.4
[M]+	530.19488142	229.9
[M]-	530.19597858	229.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

531.202706

228.3

[M+Na]+

553.184648

232.0

[M-H]-

529.188154

242.3

[M+NH4]+

548.229253

232.7

[M+K]+

569.158588

227.6

[M+H-H2O]+

513.192690

214.4

[M+HCOO]-

575.193631

252.3

[M+CH3COO]-

589.209281

261.1

[M+Na-2H]-

551.170096

231.4

[M]+

530.19488142

229.9

[M]-

530.19597858

229.9

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

76233-81-3

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe