CID 44149747

83721-54-4

Structural Information

Molecular Formula
C28H16Cl2N2O6
SMILES
C1=CC(=CC(=C1)Cl)C(=O)NC2=C3C(=C(C=C2)O)C(=O)C4=C(C=CC(=C4C3=O)O)NC(=O)C5=CC(=CC=C5)Cl
InChI
InChI=1S/C28H16Cl2N2O6/c29-15-5-1-3-13(11-15)27(37)31-17-7-9-19(33)23-21(17)25(35)24-20(34)10-8-18(22(24)26(23)36)32-28(38)14-4-2-6-16(30)12-14/h1-12,33-34H,(H,31,37)(H,32,38)
InChIKey
DARKMCJSOWOFLH-UHFFFAOYSA-N
Compound name
3-chloro-N-[5-[(3-chlorobenzoyl)amino]-4,8-dihydroxy-9,10-dioxoanthracen-1-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

546.0385 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 547.04578 224.4
[M+Na]+ 569.02772 240.7
[M+NH4]+ 564.07232 230.2
[M+K]+ 585.00166 232.1
[M-H]- 545.03122 230.8
[M+Na-2H]- 567.01317 230.7
[M]+ 546.03795 229.1
[M]- 546.03905 229.1
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.