CID 210031

20852-44-2

Structural Information

Molecular Formula
C18H14N2O4
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)CCCN3C4=CC=CC=C4OC3=O
InChI
InChI=1S/C18H14N2O4/c21-16-12-6-1-2-7-13(12)17(22)20(16)11-5-10-19-14-8-3-4-9-15(14)24-18(19)23/h1-4,6-9H,5,10-11H2
InChIKey
GJPPCVUBBPPQIM-UHFFFAOYSA-N
Compound name
2-[3-(2-oxo-1,3-benzoxazol-3-yl)propyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

322.09537 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.10265 172.0
[M+Na]+ 345.08459 187.0
[M+NH4]+ 340.12919 179.1
[M+K]+ 361.05853 183.8
[M-H]- 321.08809 175.9
[M+Na-2H]- 343.07004 176.9
[M]+ 322.09482 175.2
[M]- 322.09592 175.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.