CID 65738

1,5-dibenzamidoanthraquinone

Structural Information

Molecular Formula
C28H18N2O4
SMILES
C1=CC=C(C=C1)C(=O)NC2=CC=CC3=C2C(=O)C4=C(C3=O)C(=CC=C4)NC(=O)C5=CC=CC=C5
InChI
InChI=1S/C28H18N2O4/c31-25-20-14-8-16-22(30-28(34)18-11-5-2-6-12-18)24(20)26(32)19-13-7-15-21(23(19)25)29-27(33)17-9-3-1-4-10-17/h1-16H,(H,29,33)(H,30,34)
InChIKey
PZNXLZZWWBSQQK-UHFFFAOYSA-N
Compound name
N-(5-benzamido-9,10-dioxoanthracen-1-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

1141
Patents

446.12665 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.13393 206.7
[M+Na]+ 469.11587 222.3
[M+NH4]+ 464.16047 213.9
[M+K]+ 485.08981 213.0
[M-H]- 445.11937 214.8
[M+Na-2H]- 467.10132 216.0
[M]+ 446.12610 211.2
[M]- 446.12720 211.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe