CID 734300

166096-57-7

Structural Information

Molecular Formula
C17H13NO4
SMILES
C1=CC=C(C=C1)CCN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O
InChI
InChI=1S/C17H13NO4/c19-15-13-7-6-12(17(21)22)10-14(13)16(20)18(15)9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,21,22)
InChIKey
ICDZUDIRGRAYIV-UHFFFAOYSA-N
Compound name
1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

295.08447 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.09175 166.8
[M+Na]+ 318.07369 179.7
[M+NH4]+ 313.11829 173.5
[M+K]+ 334.04763 175.3
[M-H]- 294.07719 168.8
[M+Na-2H]- 316.05914 171.9
[M]+ 295.08392 169.0
[M]- 295.08502 169.0
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.