CID 71306879

4392-71-6

Structural Information

Molecular Formula
C35H23N3O5
SMILES
C1=CC=C(C=C1)C(=O)NC2=C3C(=C(C=C2)NC(=O)C4=CC=CC=C4)C(=O)C5=C(C3=O)C=CC=C5NC(=O)C6=CC=CC=C6
InChI
InChI=1S/C35H23N3O5/c39-31-24-17-10-18-25(36-33(41)21-11-4-1-5-12-21)28(24)32(40)30-27(38-35(43)23-15-8-3-9-16-23)20-19-26(29(30)31)37-34(42)22-13-6-2-7-14-22/h1-20H,(H,36,41)(H,37,42)(H,38,43)
InChIKey
IXWOJQMFWLETKX-UHFFFAOYSA-N
Compound name
N-(4,5-dibenzamido-9,10-dioxoanthracen-1-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

565.16376 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 566.17104 236.2
[M+Na]+ 588.15298 251.1
[M+NH4]+ 583.19758 241.6
[M+K]+ 604.12692 241.8
[M-H]- 564.15648 246.1
[M+Na-2H]- 586.13843 246.0
[M]+ 565.16321 241.0
[M]- 565.16431 241.0
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.