CID 71306913

68610-86-6

Structural Information

Molecular Formula
C35H32Cl2N6O5
SMILES
CC1=CC(=C(C=C1)NC(=O)C(C(=O)C)N=NC2=C(C=C(C=C2)C3=CC(=C(C=C3)N=NC(C(=O)C)C(=O)NC4=CC=CC=C4OC)Cl)Cl)C
InChI
InChI=1S/C35H32Cl2N6O5/c1-19-10-13-27(20(2)16-19)38-34(46)32(21(3)44)42-40-28-14-11-23(17-25(28)36)24-12-15-29(26(37)18-24)41-43-33(22(4)45)35(47)39-30-8-6-7-9-31(30)48-5/h6-18,32-33H,1-5H3,(H,38,46)(H,39,47)
InChIKey
HKBCNTJSSROSSO-UHFFFAOYSA-N
Compound name
2-[[2-chloro-4-[3-chloro-4-[[1-(2-methoxyanilino)-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

0
Patents

686.18115 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 687.18843 268.2
[M+Na]+ 709.17037 270.6
[M-H]- 685.17387 284.2
[M+NH4]+ 704.21497 268.7
[M+K]+ 725.14431 268.8
[M+H-H2O]+ 669.17841 255.7
[M+HCOO]- 731.17935 286.0
[M+CH3COO]- 745.19500 297.2
[M+Na-2H]- 707.15582 263.5
[M]+ 686.18060 279.0
[M]- 686.18170 279.0
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.