CID 5272651

2-(3-phenyl-2h-chromen-6-yl)-4,5-dihydrooxazole

Structural Information

Molecular Formula
C18H15NO2
SMILES
C1COC(=N1)C2=CC3=C(C=C2)OCC(=C3)C4=CC=CC=C4
InChI
InChI=1S/C18H15NO2/c1-2-4-13(5-3-1)16-11-15-10-14(18-19-8-9-20-18)6-7-17(15)21-12-16/h1-7,10-11H,8-9,12H2
InChIKey
BCVYVXLFXOWJEB-UHFFFAOYSA-N
Compound name
2-(3-phenyl-2H-chromen-6-yl)-4,5-dihydro-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.1103 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.11758 161.9
[M+Na]+ 300.09952 169.6
[M-H]- 276.10302 172.3
[M+NH4]+ 295.14412 176.1
[M+K]+ 316.07346 166.9
[M+H-H2O]+ 260.10756 153.2
[M+HCOO]- 322.10850 181.2
[M+CH3COO]- 336.12415 174.1
[M+Na-2H]- 298.08497 167.8
[M]+ 277.10975 161.6
[M]- 277.11085 161.6
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.