CID 2741833

5-oxo-1-(4-phenoxyphenyl)pyrrolidine-3-carboxylic acid

Structural Information

Molecular Formula
C17H15NO4
SMILES
C1C(CN(C1=O)C2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)O
InChI
InChI=1S/C17H15NO4/c19-16-10-12(17(20)21)11-18(16)13-6-8-15(9-7-13)22-14-4-2-1-3-5-14/h1-9,12H,10-11H2,(H,20,21)
InChIKey
TWESYTWUFWEEIU-UHFFFAOYSA-N
Compound name
5-oxo-1-(4-phenoxyphenyl)pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

6
Patents

297.1001 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.10738 168.3
[M+Na]+ 320.08932 180.9
[M+NH4]+ 315.13392 175.1
[M+K]+ 336.06326 176.7
[M-H]- 296.09282 172.0
[M+Na-2H]- 318.07477 175.6
[M]+ 297.09955 170.9
[M]- 297.10065 170.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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