CID 132895418

900634-65-3

Structural Information

Molecular Formula
C17H13NO6
SMILES
COC1=CC=C(C=C1)OCC(=O)ON2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C17H13NO6/c1-22-11-6-8-12(9-7-11)23-10-15(19)24-18-16(20)13-4-2-3-5-14(13)17(18)21/h2-9H,10H2,1H3
InChIKey
OVFVPNPWBRRLTA-UHFFFAOYSA-N
Compound name
(1,3-dioxoisoindol-2-yl) 2-(4-methoxyphenoxy)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.07428 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.081556 170.3
[M+Na]+ 350.063498 179.1
[M-H]- 326.067004 177.3
[M+NH4]+ 345.108103 185.5
[M+K]+ 366.037438 176.7
[M+H-H2O]+ 310.071540 162.2
[M+HCOO]- 372.072481 192.1
[M+CH3COO]- 386.088131 206.7
[M+Na-2H]- 348.048946 172.7
[M]+ 327.07373142 176.3
[M]- 327.07482858 176.3
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.