CID 57356734

94249-03-3

Structural Information

Molecular Formula
C32H26Cl2N6O4
SMILES
CC(=O)C(C(=O)NC1=CC=C(C=C1)Cl)N=NC2=CC=C(C=C2)C3=CC=C(C=C3)N=NC(C(=O)C)C(=O)NC4=CC=C(C=C4)Cl
InChI
InChI=1S/C32H26Cl2N6O4/c1-19(41)29(31(43)35-25-15-7-23(33)8-16-25)39-37-27-11-3-21(4-12-27)22-5-13-28(14-6-22)38-40-30(20(2)42)32(44)36-26-17-9-24(34)10-18-26/h3-18,29-30H,1-2H3,(H,35,43)(H,36,44)
InChIKey
UPSAJZSSQKUOAT-UHFFFAOYSA-N
Compound name
2-[[4-[4-[[1-(4-chloroanilino)-1,3-dioxobutan-2-yl]diazenyl]phenyl]phenyl]diazenyl]-N-(4-chlorophenyl)-3-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

628.1393 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 629.14658 251.4
[M+Na]+ 651.12852 253.0
[M-H]- 627.13202 266.8
[M+NH4]+ 646.17312 253.5
[M+K]+ 667.10246 250.1
[M+H-H2O]+ 611.13656 239.0
[M+HCOO]- 673.13750 270.2
[M+CH3COO]- 687.15315 283.2
[M+Na-2H]- 649.11397 250.0
[M]+ 628.13875 258.8
[M]- 628.13985 258.8
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.