CID 96484

Dtxsid80213111

Structural Information

Molecular Formula
C28H18N2O5
SMILES
C1=CC=C(C=C1)C(=O)NC2=C3C(=C(C=C2)O)C(=O)C4=C(C3=O)C=CC=C4NC(=O)C5=CC=CC=C5
InChI
InChI=1S/C28H18N2O5/c31-21-15-14-20(30-28(35)17-10-5-2-6-11-17)23-24(21)26(33)22-18(25(23)32)12-7-13-19(22)29-27(34)16-8-3-1-4-9-16/h1-15,31H,(H,29,34)(H,30,35)
InChIKey
GLIQRROTAUIWKA-UHFFFAOYSA-N
Compound name
N-(5-benzamido-4-hydroxy-9,10-dioxoanthracen-1-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

21
Patents

462.12158 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.12886 207.2
[M+Na]+ 485.11080 212.7
[M-H]- 461.11430 216.9
[M+NH4]+ 480.15540 214.8
[M+K]+ 501.08474 207.3
[M+H-H2O]+ 445.11884 195.8
[M+HCOO]- 507.11978 225.2
[M+CH3COO]- 521.13543 214.8
[M+Na-2H]- 483.09625 210.1
[M]+ 462.12103 206.1
[M]- 462.12213 206.1
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

patents stripe