CID 227754

3588-64-5

Structural Information

Molecular Formula
C17H13NO4
SMILES
C1=CC=C(C=C1)CC(C(=O)O)N2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C17H13NO4/c19-15-12-8-4-5-9-13(12)16(20)18(15)14(17(21)22)10-11-6-2-1-3-7-11/h1-9,14H,10H2,(H,21,22)
InChIKey
VAYRSTHMTWUHGE-UHFFFAOYSA-N
Compound name
2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

231
Patents

295.08447 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.09175 166.4
[M+Na]+ 318.07369 178.5
[M+NH4]+ 313.11829 172.9
[M+K]+ 334.04763 174.8
[M-H]- 294.07719 168.1
[M+Na-2H]- 316.05914 171.4
[M]+ 295.08392 168.3
[M]- 295.08502 168.3
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