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 172.2
[M+Na]+ 348.08425 181.8
[M-H]- 324.08775 179.4
[M+NH4]+ 343.12885 188.0
[M+K]+ 364.05819 178.5
[M+H-H2O]+ 308.09229 164.4
[M+HCOO]- 370.09323 193.5
[M+CH3COO]- 384.10888 208.7
[M+Na-2H]- 346.06970 173.3
[M]+ 325.09448 177.6
[M]- 325.09558 177.6
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.