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 266.6
[M+Na]+ 713.12082 270.0
[M-H]- 689.12432 281.3
[M+NH4]+ 708.16542 267.7
[M+K]+ 729.09476 267.0
[M+H-H2O]+ 673.12886 255.4
[M+HCOO]- 735.12980 279.6
[M+CH3COO]- 749.14545 294.1
[M+Na-2H]- 711.10627 261.2
[M]+ 690.13105 277.0
[M]- 690.13215 277.0
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.