PubChemLite - 73263-38-4 (C34H29ClN4O4)

Structural Information

Molecular Formula

SMILES

CC1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)C)N=NC3=C(C(=CC4=CC=CC=C43)C(=O)NC5=C(C=CC(=C5)Cl)OC)O)C

InChI

InChI=1S/C34H29ClN4O4/c1-19-9-13-25(21(3)15-19)33(41)36-24-12-10-20(2)28(18-24)38-39-31-26-8-6-5-7-22(26)16-27(32(31)40)34(42)37-29-17-23(35)11-14-30(29)43-4/h5-18,40H,1-4H3,(H,36,41)(H,37,42)

InChIKey

FMOLBJOTCRFTCN-UHFFFAOYSA-N

Compound name

N-(5-chloro-2-methoxyphenyl)-4-[[5-[(2,4-dimethylbenzoyl)amino]-2-methylphenyl]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]+	593.19502	248.7
[M+Na]+	615.17696	254.8
[M-H]-	591.18046	263.1
[M+NH4]+	610.22156	252.4
[M+K]+	631.15090	249.5
[M+H-H2O]+	575.18500	235.5
[M+HCOO]-	637.18594	267.5
[M+CH3COO]-	651.20159	273.8
[M+Na-2H]-	613.16241	247.8
[M]+	592.18719	255.2
[M]-	592.18829	255.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

593.19502

248.7

[M+Na]+

615.17696

254.8

[M-H]-

591.18046

263.1

[M+NH4]+

610.22156

252.4

[M+K]+

631.15090

249.5

[M+H-H2O]+

575.18500

235.5

[M+HCOO]-

637.18594

267.5

[M+CH3COO]-

651.20159

273.8

[M+Na-2H]-

613.16241

247.8

[M]+

592.18719

255.2

[M]-

592.18829

255.2

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

73263-38-4

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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