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]+ 323.102646 171.7
[M+Na]+ 345.084588 184.0
[M-H]- 321.088094 180.0
[M+NH4]+ 340.129193 187.9
[M+K]+ 361.058528 179.7
[M+H-H2O]+ 305.092630 164.2
[M+HCOO]- 367.093571 193.5
[M+CH3COO]- 381.109221 184.7
[M+Na-2H]- 343.070036 174.6
[M]+ 322.09482142 178.5
[M]- 322.09591858 178.5
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

patents stripe