CID 80742

6370-58-7

Structural Information

Molecular Formula
C28H18N2O6
SMILES
C1=CC=C(C=C1)C(=O)NC2=C3C(=C(C=C2)O)C(=O)C4=C(C=CC(=C4C3=O)O)NC(=O)C5=CC=CC=C5
InChI
InChI=1S/C28H18N2O6/c31-19-13-11-17(29-27(35)15-7-3-1-4-8-15)21-23(19)26(34)22-18(12-14-20(32)24(22)25(21)33)30-28(36)16-9-5-2-6-10-16/h1-14,31-32H,(H,29,35)(H,30,36)
InChIKey
ZEHGHSSPZHUYPZ-UHFFFAOYSA-N
Compound name
N-(5-benzamido-4,8-dihydroxy-9,10-dioxoanthracen-1-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

478.1165 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.12378 209.8
[M+Na]+ 501.10572 215.4
[M-H]- 477.10922 218.6
[M+NH4]+ 496.15032 216.3
[M+K]+ 517.07966 210.6
[M+H-H2O]+ 461.11376 198.8
[M+HCOO]- 523.11470 226.5
[M+CH3COO]- 537.13035 217.0
[M+Na-2H]- 499.09117 212.0
[M]+ 478.11595 209.0
[M]- 478.11705 209.0
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

patents stripe