CID 3693673

84379-71-5

Structural Information

Molecular Formula
C17H13NO4
SMILES
C1=CC=C(C=C1)CCC(=O)ON2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C17H13NO4/c19-15(11-10-12-6-2-1-3-7-12)22-18-16(20)13-8-4-5-9-14(13)17(18)21/h1-9H,10-11H2
InChIKey
JPQIUWUEOYWICT-UHFFFAOYSA-N
Compound name
(1,3-dioxoisoindol-2-yl) 3-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

295.08447 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.091746 165.6
[M+Na]+ 318.073688 174.1
[M-H]- 294.077194 172.2
[M+NH4]+ 313.118293 182.1
[M+K]+ 334.047628 170.1
[M+H-H2O]+ 278.081730 157.6
[M+HCOO]- 340.082671 187.1
[M+CH3COO]- 354.098321 201.0
[M+Na-2H]- 316.059136 168.3
[M]+ 295.08392142 168.4
[M]- 295.08501858 168.4
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