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]+ 334.107376 176.7
[M+Na]+ 356.089318 185.0
[M-H]- 332.092824 184.9
[M+NH4]+ 351.133923 192.6
[M+K]+ 372.063258 178.7
[M+H-H2O]+ 316.097360 168.2
[M+HCOO]- 378.098301 193.7
[M+CH3COO]- 392.113951 187.2
[M+Na-2H]- 354.074766 177.5
[M]+ 333.09955142 172.9
[M]- 333.10064858 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.