CID 89597

22094-93-5

Structural Information

Molecular Formula
C36H32Cl4N6O4
SMILES
CC1=CC(=C(C=C1)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)C)C)Cl)Cl)C
InChI
InChI=1S/C36H32Cl4N6O4/c1-17-7-9-29(19(3)11-17)41-35(49)33(21(5)47)45-43-31-15-25(37)23(13-27(31)39)24-14-28(40)32(16-26(24)38)44-46-34(22(6)48)36(50)42-30-10-8-18(2)12-20(30)4/h7-16,33-34H,1-6H3,(H,41,49)(H,42,50)
InChIKey
GPWXTTPSHZOIKO-UHFFFAOYSA-N
Compound name
2-[[2,5-dichloro-4-[2,5-dichloro-4-[[1-(2,4-dimethylanilino)-1,3-dioxobutan-2-yl]diazenyl]phenyl]phenyl]diazenyl]-N-(2,4-dimethylphenyl)-3-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

43
Patents

752.1239 Da
Monoisotopic Mass

10.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 753.13118 274.6
[M+Na]+ 775.11312 286.9
[M+NH4]+ 770.15772 277.5
[M+K]+ 791.08706 277.5
[M-H]- 751.11662 282.6
[M+Na-2H]- 773.09857 280.2
[M]+ 752.12335 279.5
[M]- 752.12445 279.5
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

patents stripe