CID 509070

Sjb2-043

Structural Information

Molecular Formula
C17H9NO3
SMILES
C1=CC=C(C=C1)C2=NC3=C(O2)C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C17H9NO3/c19-14-11-8-4-5-9-12(11)15(20)16-13(14)18-17(21-16)10-6-2-1-3-7-10/h1-9H
InChIKey
CMYQQADDUUDCCA-UHFFFAOYSA-N
Compound name
2-phenylbenzo[f][1,3]benzoxazole-4,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

17
Patents

275.05826 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.06554 159.0
[M+Na]+ 298.04748 170.1
[M-H]- 274.05098 167.8
[M+NH4]+ 293.09208 176.3
[M+K]+ 314.02142 165.9
[M+H-H2O]+ 258.05552 151.1
[M+HCOO]- 320.05646 179.9
[M+CH3COO]- 334.07211 172.3
[M+Na-2H]- 296.03293 165.3
[M]+ 275.05771 161.4
[M]- 275.05881 161.4
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