CID 44148590

78952-70-2

Structural Information

Molecular Formula
C34H29Cl3N6O4
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=C4Cl)Cl)Cl)C
InChI
InChI=1S/C34H29Cl3N6O4/c1-18-9-12-27(19(2)15-18)38-33(46)31(20(3)44)42-40-29-13-10-22(16-25(29)36)23-11-14-30(26(37)17-23)41-43-32(21(4)45)34(47)39-28-8-6-5-7-24(28)35/h5-17,31-32H,1-4H3,(H,38,46)(H,39,47)
InChIKey
XFCWCVQNKYZOOV-UHFFFAOYSA-N
Compound name
2-[[2-chloro-4-[3-chloro-4-[[1-(2-chloroanilino)-1,3-dioxobutan-2-yl]diazenyl]phenyl]phenyl]diazenyl]-N-(2,4-dimethylphenyl)-3-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

690.1316 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 691.13888 261.3
[M+Na]+ 713.12082 273.3
[M+NH4]+ 708.16542 264.7
[M+K]+ 729.09476 264.6
[M-H]- 689.12432 270.2
[M+Na-2H]- 711.10627 269.2
[M]+ 690.13105 266.1
[M]- 690.13215 266.1
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.