CID 3084769

40101-29-9

Structural Information

Molecular Formula
C22H11NO4
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)N4C(=O)C5=CC=CC=C5C4=O
InChI
InChI=1S/C22H11NO4/c24-19-12-6-1-2-7-13(12)20(25)18-16(19)10-5-11-17(18)23-21(26)14-8-3-4-9-15(14)22(23)27/h1-11H
InChIKey
KBLFCHZTXMGMCV-UHFFFAOYSA-N
Compound name
2-(9,10-dioxoanthracen-1-yl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.06882 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.07610 180.6
[M+Na]+ 376.05804 192.0
[M-H]- 352.06154 189.6
[M+NH4]+ 371.10264 196.8
[M+K]+ 392.03198 185.2
[M+H-H2O]+ 336.06608 171.6
[M+HCOO]- 398.06702 198.9
[M+CH3COO]- 412.08267 192.2
[M+Na-2H]- 374.04349 183.3
[M]+ 353.06827 182.3
[M]- 353.06937 182.3
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