CID 5387543

Nsc624449

Structural Information

Molecular Formula
C16H11NO5
SMILES
C1=CC=C(C=C1)C2=N/C(=C\C3=C(C=C(C=C3O)O)O)/C(=O)O2
InChI
InChI=1S/C16H11NO5/c18-10-6-13(19)11(14(20)7-10)8-12-16(21)22-15(17-12)9-4-2-1-3-5-9/h1-8,18-20H/b12-8-
InChIKey
HBPJBCVFXXCNNI-WQLSENKSSA-N
Compound name
(4Z)-2-phenyl-4-[(2,4,6-trihydroxyphenyl)methylidene]-1,3-oxazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.06372 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.07100 164.9
[M+Na]+ 320.05294 174.3
[M-H]- 296.05644 171.5
[M+NH4]+ 315.09754 177.3
[M+K]+ 336.02688 169.9
[M+H-H2O]+ 280.06098 157.4
[M+HCOO]- 342.06192 183.9
[M+CH3COO]- 356.07757 194.4
[M+Na-2H]- 318.03839 166.7
[M]+ 297.06317 164.8
[M]- 297.06427 164.8
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.