CID 1575429

4-(3-oxo-3h-isobenzofuran-1-ylidene)-2-phenyl-4h-oxazol-5-one

Structural Information

Molecular Formula
C17H9NO4
SMILES
C1=CC=C(C=C1)C2=N/C(=C\3/C4=CC=CC=C4C(=O)O3)/C(=O)O2
InChI
InChI=1S/C17H9NO4/c19-16-12-9-5-4-8-11(12)14(21-16)13-17(20)22-15(18-13)10-6-2-1-3-7-10/h1-9H/b14-13-
InChIKey
ZBQFPLKGISECLP-YPKPFQOOSA-N
Compound name
(4Z)-4-(3-oxo-2-benzofuran-1-ylidene)-2-phenyl-1,3-oxazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

291.05316 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.06044 162.3
[M+Na]+ 314.04238 172.7
[M-H]- 290.04588 174.2
[M+NH4]+ 309.08698 178.2
[M+K]+ 330.01632 170.1
[M+H-H2O]+ 274.05042 155.8
[M+HCOO]- 336.05136 183.7
[M+CH3COO]- 350.06701 175.8
[M+Na-2H]- 312.02783 164.8
[M]+ 291.05261 164.3
[M]- 291.05371 164.3
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.