CID 165725262

1,3-dioxo-2,3-dihydro-1h-isoindol-2-yl 2-(pyridin-3-yl)acetate

Structural Information

Molecular Formula
C15H10N2O4
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)OC(=O)CC3=CN=CC=C3
InChI
InChI=1S/C15H10N2O4/c18-13(8-10-4-3-7-16-9-10)21-17-14(19)11-5-1-2-6-12(11)15(17)20/h1-7,9H,8H2
InChIKey
WCERWBRIDTVJNL-UHFFFAOYSA-N
Compound name
(1,3-dioxoisoindol-2-yl) 2-pyridin-3-ylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.06406 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.07134 160.8
[M+Na]+ 305.05328 170.1
[M-H]- 281.05678 166.3
[M+NH4]+ 300.09788 176.4
[M+K]+ 321.02722 166.4
[M+H-H2O]+ 265.06132 152.2
[M+HCOO]- 327.06226 181.7
[M+CH3COO]- 341.07791 197.8
[M+Na-2H]- 303.03873 164.5
[M]+ 282.06351 163.4
[M]- 282.06461 163.4
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.