CID 89279

Einecs 243-543-0

Structural Information

Molecular Formula
C36H32Cl4N6O8
SMILES
CC(=O)C(C(=O)NC1=CC(=C(C=C1OC)Cl)OC)N=NC2=CC(=C(C=C2)C3=C(C=C(C=C3)N=NC(C(=O)C)C(=O)NC4=CC(=C(C=C4OC)Cl)OC)Cl)Cl
InChI
InChI=1S/C36H32Cl4N6O8/c1-17(47)33(35(49)41-27-15-29(51-3)25(39)13-31(27)53-5)45-43-19-7-9-21(23(37)11-19)22-10-8-20(12-24(22)38)44-46-34(18(2)48)36(50)42-28-16-30(52-4)26(40)14-32(28)54-6/h7-16,33-34H,1-6H3,(H,41,49)(H,42,50)
InChIKey
JGTNSDDJZDDMMJ-UHFFFAOYSA-N
Compound name
2-[[3-chloro-4-[2-chloro-4-[[1-(4-chloro-2,5-dimethoxyanilino)-1,3-dioxobutan-2-yl]diazenyl]phenyl]phenyl]diazenyl]-N-(4-chloro-2,5-dimethoxyphenyl)-3-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

816.1036 Da
Monoisotopic Mass

9.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 817.11088 280.0
[M+Na]+ 839.09282 283.1
[M-H]- 815.09632 293.7
[M+NH4]+ 834.13742 277.3
[M+K]+ 855.06676 285.1
[M+H-H2O]+ 799.10086 270.1
[M+HCOO]- 861.10180 288.0
[M+CH3COO]- 875.11745 310.9
[M+Na-2H]- 837.07827 273.2
[M]+ 816.10305 296.9
[M]- 816.10415 296.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.