CID 5272799

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

Structural Information

Molecular Formula
C18H15NO3
SMILES
C1COC(=N1)C2=CC=C(C=C2)C3CC(=O)C4=CC=CC=C4O3
InChI
InChI=1S/C18H15NO3/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/h1-8,17H,9-11H2
InChIKey
KCWRMWUNIHMMEZ-UHFFFAOYSA-N
Compound name
2-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.1052 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.11248 165.8
[M+Na]+ 316.09442 173.4
[M-H]- 292.09792 176.2
[M+NH4]+ 311.13902 179.3
[M+K]+ 332.06836 171.0
[M+H-H2O]+ 276.10246 157.1
[M+HCOO]- 338.10340 184.0
[M+CH3COO]- 352.11905 177.6
[M+Na-2H]- 314.07987 170.0
[M]+ 293.10465 165.2
[M]- 293.10575 165.2
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.