CID 132786913

1,3-dioxo-2,3-dihydro-1h-isoindol-2-yl 2-(2,6-dimethylphenoxy)acetate

Structural Information

Molecular Formula
C18H15NO5
SMILES
CC1=C(C(=CC=C1)C)OCC(=O)ON2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C18H15NO5/c1-11-6-5-7-12(2)16(11)23-10-15(20)24-19-17(21)13-8-3-4-9-14(13)18(19)22/h3-9H,10H2,1-2H3
InChIKey
DANFBOLXCMAKAD-UHFFFAOYSA-N
Compound name
(1,3-dioxoisoindol-2-yl) 2-(2,6-dimethylphenoxy)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.09503 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.10231 173.7
[M+Na]+ 348.08425 186.8
[M+NH4]+ 343.12885 180.0
[M+K]+ 364.05819 182.7
[M-H]- 324.08775 175.8
[M+Na-2H]- 346.06970 178.5
[M]+ 325.09448 176.0
[M]- 325.09558 176.0
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.