CID 6340133

Nsc623909

Structural Information

Molecular Formula
C16H11NO3
SMILES
C1=CC=C(C=C1)C2=N/C(=C/C=C/C3=CC=CO3)/C(=O)O2
InChI
InChI=1S/C16H11NO3/c18-16-14(10-4-8-13-9-5-11-19-13)17-15(20-16)12-6-2-1-3-7-12/h1-11H/b8-4+,14-10+
InChIKey
CIIVDZAOJONZNU-QXAPVUDZSA-N
Compound name
(4E)-4-[(E)-3-(furan-2-yl)prop-2-enylidene]-2-phenyl-1,3-oxazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.07388 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.08116 158.5
[M+Na]+ 288.06310 167.4
[M-H]- 264.06660 168.8
[M+NH4]+ 283.10770 174.3
[M+K]+ 304.03704 164.8
[M+H-H2O]+ 248.07114 151.7
[M+HCOO]- 310.07208 181.8
[M+CH3COO]- 324.08773 171.9
[M+Na-2H]- 286.04855 161.4
[M]+ 265.07333 160.5
[M]- 265.07443 160.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.