CID 89278

20139-66-6

Structural Information

Molecular Formula
C36H34Cl2N6O6
SMILES
CCOC1=CC=C(C=C1)NC(=O)C(C(=O)C)N=NC2=CC(=C(C=C2)C3=C(C=C(C=C3)N=NC(C(=O)C)C(=O)NC4=CC=C(C=C4)OCC)Cl)Cl
InChI
InChI=1S/C36H34Cl2N6O6/c1-5-49-27-13-7-23(8-14-27)39-35(47)33(21(3)45)43-41-25-11-17-29(31(37)19-25)30-18-12-26(20-32(30)38)42-44-34(22(4)46)36(48)40-24-9-15-28(16-10-24)50-6-2/h7-20,33-34H,5-6H2,1-4H3,(H,39,47)(H,40,48)
InChIKey
ANRPYVOIZUOOMQ-UHFFFAOYSA-N
Compound name
2-[[3-chloro-4-[2-chloro-4-[[1-(4-ethoxyanilino)-1,3-dioxobutan-2-yl]diazenyl]phenyl]phenyl]diazenyl]-N-(4-ethoxyphenyl)-3-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

716.1917 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 717.19898 267.0
[M+Na]+ 739.18092 277.0
[M+NH4]+ 734.22552 268.9
[M+K]+ 755.15486 269.7
[M-H]- 715.18442 275.5
[M+Na-2H]- 737.16637 274.6
[M]+ 716.19115 270.9
[M]- 716.19225 270.9
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

patents stripe