CID 20721907

1,3-dioxoisoindolin-2-yl 2-(p-tolyl)acetate

Structural Information

Molecular Formula
C17H13NO4
SMILES
CC1=CC=C(C=C1)CC(=O)ON2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C17H13NO4/c1-11-6-8-12(9-7-11)10-15(19)22-18-16(20)13-4-2-3-5-14(13)17(18)21/h2-9H,10H2,1H3
InChIKey
ZFSJKORVLOZPLO-UHFFFAOYSA-N
Compound name
(1,3-dioxoisoindol-2-yl) 2-(4-methylphenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

295.08447 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.09175 166.4
[M+Na]+ 318.07369 179.9
[M+NH4]+ 313.11829 173.4
[M+K]+ 334.04763 175.2
[M-H]- 294.07719 168.9
[M+Na-2H]- 316.05914 172.2
[M]+ 295.08392 168.9
[M]- 295.08502 168.9
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

patents stripe