CID 854188

250296-64-1

Structural Information

Molecular Formula
C18H15NO4
SMILES
CC(=O)OCCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C18H15NO4/c1-12(20)23-11-10-13-6-8-14(9-7-13)19-17(21)15-4-2-3-5-16(15)18(19)22/h2-9H,10-11H2,1H3
InChIKey
RVCBIKBWDIMUDC-UHFFFAOYSA-N
Compound name
2-[4-(1,3-dioxoisoindol-2-yl)phenyl]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

309.1001 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.107376 170.0
[M+Na]+ 332.089318 178.9
[M-H]- 308.092824 176.8
[M+NH4]+ 327.133923 186.2
[M+K]+ 348.063258 174.8
[M+H-H2O]+ 292.097360 162.1
[M+HCOO]- 354.098301 191.1
[M+CH3COO]- 368.113951 205.2
[M+Na-2H]- 330.074766 171.5
[M]+ 309.09955142 173.5
[M]- 309.10064858 173.5
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.