CID 20721907

1826895-07-1

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 165.3
[M+Na]+ 318.07369 174.7
[M-H]- 294.07719 172.3
[M+NH4]+ 313.11829 182.1
[M+K]+ 334.04763 170.8
[M+H-H2O]+ 278.08173 157.6
[M+HCOO]- 340.08267 186.8
[M+CH3COO]- 354.09832 202.3
[M+Na-2H]- 316.05914 167.4
[M]+ 295.08392 168.5
[M]- 295.08502 168.5
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