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]+ 310.10738 170.0
[M+Na]+ 332.08932 178.9
[M-H]- 308.09282 176.8
[M+NH4]+ 327.13392 186.2
[M+K]+ 348.06326 174.8
[M+H-H2O]+ 292.09736 162.1
[M+HCOO]- 354.09830 191.1
[M+CH3COO]- 368.11395 205.2
[M+Na-2H]- 330.07477 171.5
[M]+ 309.09955 173.5
[M]- 309.10065 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.