PubChemLite - 53815-04-6 (C34H28Cl4N6O4)

Structural Information

Molecular Formula

SMILES

CC1=C(C=CC(=C1)Cl)NC(=O)C(C(=O)C)N=NC2=C(C=C(C=C2)C3=CC(=C(C=C3)N=NC(C(=O)C)C(=O)NC4=C(C=C(C=C4)Cl)C)Cl)Cl

InChI

InChI=1S/C34H28Cl4N6O4/c1-17-13-23(35)7-11-27(17)39-33(47)31(19(3)45)43-41-29-9-5-21(15-25(29)37)22-6-10-30(26(38)16-22)42-44-32(20(4)46)34(48)40-28-12-8-24(36)14-18(28)2/h5-16,31-32H,1-4H3,(H,39,47)(H,40,48)

InChIKey

PGTAPVPGZUUOAS-UHFFFAOYSA-N

Compound name

2-[[2-chloro-4-[3-chloro-4-[[1-(4-chloro-2-methylanilino)-1,3-dioxobutan-2-yl]diazenyl]phenyl]phenyl]diazenyl]-N-(4-chloro-2-methylphenyl)-3-oxobutanamide

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]+	725.09988	269.6
[M+Na]+	747.08182	273.6
[M-H]-	723.08532	282.5
[M+NH4]+	742.12642	270.0
[M+K]+	763.05576	270.9
[M+H-H2O]+	707.08986	259.6
[M+HCOO]-	769.09080	277.3
[M+CH3COO]-	783.10645	296.2
[M+Na-2H]-	745.06727	262.6
[M]+	724.09205	280.4
[M]-	724.09315	280.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

725.09988

269.6

[M+Na]+

747.08182

273.6

[M-H]-

723.08532

282.5

[M+NH4]+

742.12642

270.0

[M+K]+

763.05576

270.9

[M+H-H2O]+

707.08986

259.6

[M+HCOO]-

769.09080

277.3

[M+CH3COO]-

783.10645

296.2

[M+Na-2H]-

745.06727

262.6

[M]+

724.09205

280.4

[M]-

724.09315

280.4

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

53815-04-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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