CID 5272801

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

Structural Information

Molecular Formula
C18H13NO3
SMILES
C1COC(=N1)C2=CC=C(C=C2)C3=CC(=O)C4=CC=CC=C4O3
InChI
InChI=1S/C18H13NO3/c20-15-11-17(22-16-4-2-1-3-14(15)16)12-5-7-13(8-6-12)18-19-9-10-21-18/h1-8,11H,9-10H2
InChIKey
CXLKHBPYDCSBQJ-UHFFFAOYSA-N
Compound name
2-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.08954 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.09682 164.2
[M+Na]+ 314.07876 174.0
[M-H]- 290.08226 175.5
[M+NH4]+ 309.12336 178.1
[M+K]+ 330.05270 171.2
[M+H-H2O]+ 274.08680 155.6
[M+HCOO]- 336.08774 185.2
[M+CH3COO]- 350.10339 177.1
[M+Na-2H]- 312.06421 170.4
[M]+ 291.08899 166.5
[M]- 291.09009 166.5
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.