CID 5309580

105776-76-9

Structural Information

Molecular Formula
C17H15NO3
SMILES
C1C2=CC=CC=C2C(=O)N1[C@@H](CC3=CC=CC=C3)C(=O)O
InChI
InChI=1S/C17H15NO3/c19-16-14-9-5-4-8-13(14)11-18(16)15(17(20)21)10-12-6-2-1-3-7-12/h1-9,15H,10-11H2,(H,20,21)/t15-/m0/s1
InChIKey
FZEBPJBRDFXKIH-HNNXBMFYSA-N
Compound name
(2S)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

14
Patents

281.1052 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.11248 164.5
[M+Na]+ 304.09442 176.7
[M+NH4]+ 299.13902 171.9
[M+K]+ 320.06836 172.3
[M-H]- 280.09792 166.9
[M+Na-2H]- 302.07987 170.3
[M]+ 281.10465 166.7
[M]- 281.10575 166.7
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

patents stripe