CID 282189

3,5-diphenyl-4h-pyran-4-one

Structural Information

Molecular Formula
C17H12O2
SMILES
C1=CC=C(C=C1)C2=COC=C(C2=O)C3=CC=CC=C3
InChI
InChI=1S/C17H12O2/c18-17-15(13-7-3-1-4-8-13)11-19-12-16(17)14-9-5-2-6-10-14/h1-12H
InChIKey
JOTAMMMRYKLWBB-UHFFFAOYSA-N
Compound name
3,5-diphenylpyran-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

12
Patents

248.08372 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.09100 153.9
[M+Na]+ 271.07294 162.9
[M-H]- 247.07644 164.8
[M+NH4]+ 266.11754 169.4
[M+K]+ 287.04688 159.3
[M+H-H2O]+ 231.08098 145.5
[M+HCOO]- 293.08192 178.3
[M+CH3COO]- 307.09757 167.5
[M+Na-2H]- 269.05839 162.1
[M]+ 248.08317 154.8
[M]- 248.08427 154.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe