PubChemLite - Einecs 238-330-4 (C34H26Cl6N6O4)

Structural Information

Molecular Formula

SMILES

CC1=C(C=CC(=C1)Cl)NC(=O)C(C(=O)C)N=NC2=C(C=C(C(=C2)Cl)C3=CC(=C(C=C3Cl)N=NC(C(=O)C)C(=O)NC4=C(C=C(C=C4)Cl)C)Cl)Cl

InChI

InChI=1S/C34H26Cl6N6O4/c1-15-9-19(35)5-7-27(15)41-33(49)31(17(3)47)45-43-29-13-23(37)21(11-25(29)39)22-12-26(40)30(14-24(22)38)44-46-32(18(4)48)34(50)42-28-8-6-20(36)10-16(28)2/h5-14,31-32H,1-4H3,(H,41,49)(H,42,50)

InChIKey

HSHHXSNAFDZIAR-UHFFFAOYSA-N

Compound name

N-(4-chloro-2-methylphenyl)-2-[[2,5-dichloro-4-[2,5-dichloro-4-[[1-(4-chloro-2-methylanilino)-1,3-dioxobutan-2-yl]diazenyl]phenyl]phenyl]diazenyl]-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]+	793.02193	272.4
[M+Na]+	815.00387	276.2
[M-H]-	791.00737	280.4
[M+NH4]+	810.04847	271.0
[M+K]+	830.97781	275.7
[M+H-H2O]+	775.01191	264.6
[M+HCOO]-	837.01285	269.7
[M+CH3COO]-	851.02850	297.8
[M+Na-2H]-	812.98932	262.0
[M]+	792.01410	280.9
[M]-	792.01520	280.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

793.02193

272.4

[M+Na]+

815.00387

276.2

[M-H]-

791.00737

280.4

[M+NH4]+

810.04847

271.0

[M+K]+

830.97781

275.7

[M+H-H2O]+

775.01191

264.6

[M+HCOO]-

837.01285

269.7

[M+CH3COO]-

851.02850

297.8

[M+Na-2H]-

812.98932

262.0

[M]+

792.01410

280.9

[M]-

792.01520

280.9

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

Einecs 238-330-4

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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