CID 2839734

10114-51-9

Structural Information

Molecular Formula
C28H18N2O4
SMILES
C1=CC=C(C=C1)C(=O)NC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4NC(=O)C5=CC=CC=C5
InChI
InChI=1S/C28H18N2O4/c31-25-19-13-7-15-21(29-27(33)17-9-3-1-4-10-17)23(19)26(32)24-20(25)14-8-16-22(24)30-28(34)18-11-5-2-6-12-18/h1-16H,(H,29,33)(H,30,34)
InChIKey
MHIIKMFLEZGYPH-UHFFFAOYSA-N
Compound name
N-(8-benzamido-9,10-dioxoanthracen-1-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

446.12665 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.13393 204.5
[M+Na]+ 469.11587 209.9
[M-H]- 445.11937 215.2
[M+NH4]+ 464.16047 213.3
[M+K]+ 485.08981 204.0
[M+H-H2O]+ 429.12391 192.8
[M+HCOO]- 491.12485 224.0
[M+CH3COO]- 505.14050 212.6
[M+Na-2H]- 467.10132 208.2
[M]+ 446.12610 203.3
[M]- 446.12720 203.3
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