CID 106233

Einecs 267-945-0

Structural Information

Molecular Formula
C29H16Cl4N4O4
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)N=NC(C(=O)NC4=C(C(=CC=C4)Cl)Cl)C(=O)NC5=C(C(=CC=C5)Cl)Cl
InChI
InChI=1S/C29H16Cl4N4O4/c30-17-9-4-12-20(23(17)32)34-28(40)25(29(41)35-21-13-5-10-18(31)24(21)33)37-36-19-11-3-8-16-22(19)27(39)15-7-2-1-6-14(15)26(16)38/h1-13,25H,(H,34,40)(H,35,41)
InChIKey
HDLDXUXHDCSEFZ-UHFFFAOYSA-N
Compound name
N,N'-bis(2,3-dichlorophenyl)-2-[(9,10-dioxoanthracen-1-yl)diazenyl]propanediamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

623.99255 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 624.99983 236.7
[M+Na]+ 646.98177 244.4
[M-H]- 622.98527 246.1
[M+NH4]+ 642.02637 242.1
[M+K]+ 662.95571 239.6
[M+H-H2O]+ 606.98981 228.2
[M+HCOO]- 668.99075 240.5
[M+CH3COO]- 683.00640 242.1
[M+Na-2H]- 644.96722 235.9
[M]+ 623.99200 244.5
[M]- 623.99310 244.5
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.