CID 173297

74620-20-5

Structural Information

Molecular Formula
C28H24Cl4N6O4
SMILES
CC1=CC(=C(C=C1NC(=O)C(C(=O)C)N=NC2=C(C=C(C=C2)Cl)Cl)C)NC(=O)C(C(=O)C)N=NC3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C28H24Cl4N6O4/c1-13-9-24(34-28(42)26(16(4)40)38-36-22-8-6-18(30)12-20(22)32)14(2)10-23(13)33-27(41)25(15(3)39)37-35-21-7-5-17(29)11-19(21)31/h5-12,25-26H,1-4H3,(H,33,41)(H,34,42)
InChIKey
AGWFOGQTVYBHTM-UHFFFAOYSA-N
Compound name
2-[(2,4-dichlorophenyl)diazenyl]-N-[4-[[2-[(2,4-dichlorophenyl)diazenyl]-3-oxobutanoyl]amino]-2,5-dimethylphenyl]-3-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

648.06134 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 649.06862 246.6
[M+Na]+ 671.05056 257.1
[M+NH4]+ 666.09516 249.7
[M+K]+ 687.02450 249.4
[M-H]- 647.05406 252.2
[M+Na-2H]- 669.03601 251.5
[M]+ 648.06079 250.4
[M]- 648.06189 250.4
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