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 247.0
[M+Na]+ 651.12852 258.2
[M+NH4]+ 646.17312 250.7
[M+K]+ 667.10246 250.2
[M-H]- 627.13202 256.5
[M+Na-2H]- 649.11397 256.7
[M]+ 628.13875 251.4
[M]- 628.13985 251.4
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

No patent data available for this compound.