CID 105667

67803-84-3

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=C(C=C5)Cl)Cl)C(=O)NC6=C(C=C(C=C6)Cl)Cl
InChI
InChI=1S/C36H21Cl4N5O5/c37-19-12-14-25(23(39)16-19)41-35(49)31(36(50)42-26-15-13-20(38)17-24(26)40)45-44-28-11-5-9-22-30(28)33(47)21-8-4-10-27(29(21)32(22)46)43-34(48)18-6-2-1-3-7-18/h1-17,31H,(H,41,49)(H,42,50)(H,43,48)
InChIKey
MVVGXLBQIRJGRM-UHFFFAOYSA-N
Compound name
2-[(5-benzamido-9,10-dioxoanthracen-1-yl)diazenyl]-N,N'-bis(2,4-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 258.2
[M+Na]+ 766.01888 263.3
[M-H]- 742.02238 269.5
[M+NH4]+ 761.06348 258.3
[M+K]+ 781.99282 260.5
[M+H-H2O]+ 726.02692 248.1
[M+HCOO]- 788.02786 261.4
[M+CH3COO]- 802.04351 261.3
[M+Na-2H]- 764.00433 256.9
[M]+ 743.02911 266.6
[M]- 743.03021 266.6
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.