CID 96484

Algol pink bbk

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
1
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 209.9
[M+Na]+ 485.11080 224.8
[M+NH4]+ 480.15540 216.1
[M+K]+ 501.08474 216.6
[M-H]- 461.11430 217.1
[M+Na-2H]- 483.09625 217.9
[M]+ 462.12103 214.0
[M]- 462.12213 214.0
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