CID 6451949

Butanamide, 2,2'-((5,5'-dichloro-2,2'-dimethoxy(1,1'-biphenyl)-4,4'-diyl)bis(azo))bis(n-(2,4-dimethylphenyl)-3-oxo-

Structural Information

Molecular Formula
C38H38Cl2N6O6
SMILES
CC1=CC(=C(C=C1)NC(=O)C(C(=O)C)N=NC2=C(C=C(C(=C2)OC)C3=CC(=C(C=C3OC)N=NC(C(=O)C)C(=O)NC4=C(C=C(C=C4)C)C)Cl)Cl)C
InChI
InChI=1S/C38H38Cl2N6O6/c1-19-9-11-29(21(3)13-19)41-37(49)35(23(5)47)45-43-31-17-33(51-7)25(15-27(31)39)26-16-28(40)32(18-34(26)52-8)44-46-36(24(6)48)38(50)42-30-12-10-20(2)14-22(30)4/h9-18,35-36H,1-8H3,(H,41,49)(H,42,50)
InChIKey
IEHWDMLEFFWYKY-UHFFFAOYSA-N
Compound name
2-[[2-chloro-4-[5-chloro-4-[[1-(2,4-dimethylanilino)-1,3-dioxobutan-2-yl]diazenyl]-2-methoxyphenyl]-5-methoxyphenyl]diazenyl]-N-(2,4-dimethylphenyl)-3-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

744.22296 Da
Monoisotopic Mass

9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 745.23024 284.1
[M+Na]+ 767.21218 287.0
[M-H]- 743.21568 300.4
[M+NH4]+ 762.25678 282.9
[M+K]+ 783.18612 286.7
[M+H-H2O]+ 727.22022 271.5
[M+HCOO]- 789.22116 300.9
[M+CH3COO]- 803.23681 311.1
[M+Na-2H]- 765.19763 276.3
[M]+ 744.22241 298.1
[M]- 744.22351 298.1
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.