CID 132893832

900634-61-9

Structural Information

Molecular Formula
C17H13NO5
SMILES
COC1=CC=C(C=C1)CC(=O)ON2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C17H13NO5/c1-22-12-8-6-11(7-9-12)10-15(19)23-18-16(20)13-4-2-3-5-14(13)17(18)21/h2-9H,10H2,1H3
InChIKey
NHIKVJRTLNCTFF-UHFFFAOYSA-N
Compound name
(1,3-dioxoisoindol-2-yl) 2-(4-methoxyphenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.07938 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.08666 167.9
[M+Na]+ 334.06860 177.0
[M-H]- 310.07210 174.9
[M+NH4]+ 329.11320 183.9
[M+K]+ 350.04254 173.9
[M+H-H2O]+ 294.07664 160.0
[M+HCOO]- 356.07758 189.6
[M+CH3COO]- 370.09323 204.5
[M+Na-2H]- 332.05405 170.2
[M]+ 311.07883 172.5
[M]- 311.07993 172.5
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

No patent data available for this compound.