CID 3053146

69557-09-1

Structural Information

Molecular Formula
C17H16N2O6
SMILES
CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)N3C(=O)CCC3=O
InChI
InChI=1S/C17H16N2O6/c1-2-25-17(24)10-3-5-11(6-4-10)18-15(22)9-12(16(18)23)19-13(20)7-8-14(19)21/h3-6,12H,2,7-9H2,1H3
InChIKey
OMLNQFAXKSKNTE-UHFFFAOYSA-N
Compound name
ethyl 4-[3-(2,5-dioxopyrrolidin-1-yl)-2,5-dioxopyrrolidin-1-yl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.10083 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.10811 178.8
[M+Na]+ 367.09005 187.9
[M+NH4]+ 362.13465 182.6
[M+K]+ 383.06399 188.1
[M-H]- 343.09355 179.3
[M+Na-2H]- 365.07550 180.9
[M]+ 344.10028 179.6
[M]- 344.10138 179.6
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.