CID 40453

52604-93-0

Structural Information

Molecular Formula
C18H12N2O4
SMILES
C1C(C(=O)N(C1=O)C2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C18H12N2O4/c21-15-10-14(18(24)19(15)11-6-2-1-3-7-11)20-16(22)12-8-4-5-9-13(12)17(20)23/h1-9,14H,10H2
InChIKey
KLUHCMRNGZPHJG-UHFFFAOYSA-N
Compound name
2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.0797 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.08698 171.8
[M+Na]+ 343.06892 181.9
[M-H]- 319.07242 181.1
[M+NH4]+ 338.11352 187.8
[M+K]+ 359.04286 176.7
[M+H-H2O]+ 303.07696 163.7
[M+HCOO]- 365.07790 192.0
[M+CH3COO]- 379.09355 183.9
[M+Na-2H]- 341.05437 170.3
[M]+ 320.07915 172.1
[M]- 320.08025 172.1
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.