CID 105754

67837-03-0

Structural Information

Molecular Formula
C36H21Cl4N5O5
SMILES
C1=CC=C(C=C1)C(=O)NC2=CC=CC3=C2C(=O)C4=C(C3=O)C(=CC=C4)N=NC(C(=O)NC5=C(C(=CC=C5)Cl)Cl)C(=O)NC6=C(C(=CC=C6)Cl)Cl
InChI
InChI=1S/C36H21Cl4N5O5/c37-21-12-6-16-25(29(21)39)42-35(49)31(36(50)43-26-17-7-13-22(38)30(26)40)45-44-24-15-5-11-20-28(24)33(47)19-10-4-14-23(27(19)32(20)46)41-34(48)18-8-2-1-3-9-18/h1-17,31H,(H,41,48)(H,42,49)(H,43,50)
InChIKey
UYUMJRLBPXJPGE-UHFFFAOYSA-N
Compound name
2-[(5-benzamido-9,10-dioxoanthracen-1-yl)diazenyl]-N,N'-bis(2,3-dichlorophenyl)propanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

743.02966 Da
Monoisotopic Mass

10.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 744.03694 263.6
[M+Na]+ 766.01888 278.6
[M+NH4]+ 761.06348 268.3
[M+K]+ 781.99282 267.6
[M-H]- 742.02238 272.6
[M+Na-2H]- 764.00433 270.8
[M]+ 743.02911 269.3
[M]- 743.03021 269.3
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.