PubChemLite - 3905-19-9 (C40H24Cl4N6O4)

Structural Information

Molecular Formula

SMILES

C1=CC=C2C(=C1)C=C(C(=C2N=NC3=C(C=CC(=C3)Cl)Cl)O)C(=O)NC4=CC=C(C=C4)NC(=O)C5=CC6=CC=CC=C6C(=C5O)N=NC7=C(C=CC(=C7)Cl)Cl

InChI

InChI=1S/C40H24Cl4N6O4/c41-23-9-15-31(43)33(19-23)47-49-35-27-7-3-1-5-21(27)17-29(37(35)51)39(53)45-25-11-13-26(14-12-25)46-40(54)30-18-22-6-2-4-8-28(22)36(38(30)52)50-48-34-20-24(42)10-16-32(34)44/h1-20,51-52H,(H,45,53)(H,46,54)

InChIKey

NQDGNYQKISTHLK-UHFFFAOYSA-N

Compound name

4-[(2,5-dichlorophenyl)diazenyl]-N-[4-[[4-[(2,5-dichlorophenyl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]phenyl]-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]+	793.06862	270.8
[M+Na]+	815.05056	277.7
[M-H]-	791.05406	284.4
[M+NH4]+	810.09516	269.1
[M+K]+	831.02450	274.7
[M+H-H2O]+	775.05860	257.9
[M+HCOO]-	837.05954	277.6
[M+CH3COO]-	851.07519	273.7
[M+Na-2H]-	813.03601	272.2
[M]+	792.06079	281.6
[M]-	792.06189	281.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

793.06862

270.8

[M+Na]+

815.05056

277.7

[M-H]-

791.05406

284.4

[M+NH4]+

810.09516

269.1

[M+K]+

831.02450

274.7

[M+H-H2O]+

775.05860

257.9

[M+HCOO]-

837.05954

277.6

[M+CH3COO]-

851.07519

273.7

[M+Na-2H]-

813.03601

272.2

[M]+

792.06079

281.6

[M]-

792.06189

281.6

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

3905-19-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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