CID 5388034

Nsc630916

Structural Information

Molecular Formula
C16H11NO3
SMILES
C1=CC=C(C=C1)C2=N/C(=C\C3=CC=CC=C3O)/C(=O)O2
InChI
InChI=1S/C16H11NO3/c18-14-9-5-4-8-12(14)10-13-16(19)20-15(17-13)11-6-2-1-3-7-11/h1-10,18H/b13-10-
InChIKey
RYCRLHLKROXZRB-RAXLEYEMSA-N
Compound name
(4Z)-4-[(2-hydroxyphenyl)methylidene]-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

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.08116 158.1
[M+Na]+ 288.06310 167.1
[M-H]- 264.06660 166.6
[M+NH4]+ 283.10770 172.9
[M+K]+ 304.03704 162.9
[M+H-H2O]+ 248.07114 150.1
[M+HCOO]- 310.07208 179.9
[M+CH3COO]- 324.08773 170.8
[M+Na-2H]- 286.04855 162.0
[M]+ 265.07333 157.9
[M]- 265.07443 157.9
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.