CID 5272807

2-[4-(4,5-dihydrooxazol-2-yl)phenyl]-3-hydroxy-chromen-4-one

Structural Information

Molecular Formula
C18H13NO4
SMILES
C1COC(=N1)C2=CC=C(C=C2)C3=C(C(=O)C4=CC=CC=C4O3)O
InChI
InChI=1S/C18H13NO4/c20-15-13-3-1-2-4-14(13)23-17(16(15)21)11-5-7-12(8-6-11)18-19-9-10-22-18/h1-8,21H,9-10H2
InChIKey
OJIZBCKYXLGIEP-UHFFFAOYSA-N
Compound name
2-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-hydroxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.08447 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.09175 167.7
[M+Na]+ 330.07369 177.7
[M-H]- 306.07719 178.1
[M+NH4]+ 325.11829 180.5
[M+K]+ 346.04763 174.9
[M+H-H2O]+ 290.08173 159.4
[M+HCOO]- 352.08267 187.4
[M+CH3COO]- 366.09832 180.2
[M+Na-2H]- 328.05914 173.0
[M]+ 307.08392 170.2
[M]- 307.08502 170.2
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.