CID 3059034

76059-13-7

Structural Information

Molecular Formula
C20H15NO4
SMILES
C1CC(=O)NC(=O)C1C2(C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4
InChI
InChI=1S/C20H15NO4/c22-16-11-10-15(19(25)21-16)20(12-6-2-1-3-7-12)17(23)13-8-4-5-9-14(13)18(20)24/h1-9,15H,10-11H2,(H,21,22,25)
InChIKey
ZKZCNUFRMNKTHH-UHFFFAOYSA-N
Compound name
3-(1,3-dioxo-2-phenylinden-2-yl)piperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.1001 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.10738 176.7
[M+Na]+ 356.08932 185.0
[M-H]- 332.09282 184.9
[M+NH4]+ 351.13392 192.6
[M+K]+ 372.06326 178.7
[M+H-H2O]+ 316.09736 168.2
[M+HCOO]- 378.09830 193.7
[M+CH3COO]- 392.11395 187.2
[M+Na-2H]- 354.07477 177.5
[M]+ 333.09955 172.9
[M]- 333.10065 172.9
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

No patent data available for this compound.