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 174.9
[M+Na]+ 367.09005 182.7
[M-H]- 343.09355 182.9
[M+NH4]+ 362.13465 188.8
[M+K]+ 383.06399 180.0
[M+H-H2O]+ 327.09809 167.3
[M+HCOO]- 389.09903 193.9
[M+CH3COO]- 403.11468 210.1
[M+Na-2H]- 365.07550 170.2
[M]+ 344.10028 176.2
[M]- 344.10138 176.2
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.