CID 867582

166096-53-3

Structural Information

Molecular Formula
C17H13NO5
SMILES
CCOC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O
InChI
InChI=1S/C17H13NO5/c1-2-23-12-6-4-11(5-7-12)18-15(19)13-8-3-10(17(21)22)9-14(13)16(18)20/h3-9H,2H2,1H3,(H,21,22)
InChIKey
FZYOJDVYADHXGY-UHFFFAOYSA-N
Compound name
2-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.07938 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.08666 169.7
[M+Na]+ 334.06860 182.4
[M+NH4]+ 329.11320 175.7
[M+K]+ 350.04254 178.8
[M-H]- 310.07210 171.3
[M+Na-2H]- 332.05405 174.1
[M]+ 311.07883 171.7
[M]- 311.07993 171.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.