CID 1556807

Nsc630919

Structural Information

Molecular Formula
C14H9NO3
SMILES
C1=CC=C(C=C1)C2=N/C(=C\C3=CC=CO3)/C(=O)O2
InChI
InChI=1S/C14H9NO3/c16-14-12(9-11-7-4-8-17-11)15-13(18-14)10-5-2-1-3-6-10/h1-9H/b12-9-
InChIKey
QJBMVCDGBSYRJD-XFXZXTDPSA-N
Compound name
(4Z)-4-(furan-2-ylmethylidene)-2-phenyl-1,3-oxazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.05824 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.06552 149.6
[M+Na]+ 262.04746 159.0
[M-H]- 238.05096 160.2
[M+NH4]+ 257.09206 166.5
[M+K]+ 278.02140 157.5
[M+H-H2O]+ 222.05550 143.1
[M+HCOO]- 284.05644 173.4
[M+CH3COO]- 298.07209 163.8
[M+Na-2H]- 260.03291 153.6
[M]+ 239.05769 151.7
[M]- 239.05879 151.7
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.