CID 89279

20139-72-4

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 277.2
[M+Na]+ 839.09282 287.6
[M+NH4]+ 834.13742 278.1
[M+K]+ 855.06676 280.6
[M-H]- 815.09632 283.6
[M+Na-2H]- 837.07827 282.0
[M]+ 816.10305 281.1
[M]- 816.10415 281.1
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.