CID 47404

64505-33-5

Structural Information

Molecular Formula
C14H15NO4
SMILES
CCOC(=O)CN1C(=O)CC(C1=O)C2=CC=CC=C2
InChI
InChI=1S/C14H15NO4/c1-2-19-13(17)9-15-12(16)8-11(14(15)18)10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3
InChIKey
LQPWQTIFRJRHIE-UHFFFAOYSA-N
Compound name
ethyl 2-(2,5-dioxo-3-phenylpyrrolidin-1-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

261.1001 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.10738 157.1
[M+Na]+ 284.08932 164.7
[M-H]- 260.09282 162.6
[M+NH4]+ 279.13392 174.2
[M+K]+ 300.06326 162.2
[M+H-H2O]+ 244.09736 149.8
[M+HCOO]- 306.09830 178.5
[M+CH3COO]- 320.11395 194.7
[M+Na-2H]- 282.07477 157.6
[M]+ 261.09955 158.8
[M]- 261.10065 158.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.