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]+ 345.108106 174.9
[M+Na]+ 367.090048 182.7
[M-H]- 343.093554 182.9
[M+NH4]+ 362.134653 188.8
[M+K]+ 383.063988 180.0
[M+H-H2O]+ 327.098090 167.3
[M+HCOO]- 389.099031 193.9
[M+CH3COO]- 403.114681 210.1
[M+Na-2H]- 365.075496 170.2
[M]+ 344.10028142 176.2
[M]- 344.10137858 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.