CID 85722

14359-20-7

Structural Information

Molecular Formula
C34H26Cl6N6O4
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

compound 2d structure
2
Annotation Hits

0
References

20
Patents

792.01465 Da
Monoisotopic Mass

11.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 793.02193 274.0
[M+Na]+ 815.00387 285.0
[M+NH4]+ 810.04847 276.4
[M+K]+ 830.97781 275.2
[M-H]- 791.00737 279.3
[M+Na-2H]- 812.98932 277.3
[M]+ 792.01410 278.2
[M]- 792.01520 278.2
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