CID 54690937

3-benzyl-4-hydroxy-6-phenyl-pyran-2-one

Structural Information

Molecular Formula
C18H14O3
SMILES
C1=CC=C(C=C1)CC2=C(C=C(OC2=O)C3=CC=CC=C3)O
InChI
InChI=1S/C18H14O3/c19-16-12-17(14-9-5-2-6-10-14)21-18(20)15(16)11-13-7-3-1-4-8-13/h1-10,12,19H,11H2
InChIKey
LPXAFKFBCYBLBX-UHFFFAOYSA-N
Compound name
3-benzyl-4-hydroxy-6-phenylpyran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

278.0943 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.10158 162.3
[M+Na]+ 301.08352 171.2
[M-H]- 277.08702 172.1
[M+NH4]+ 296.12812 176.1
[M+K]+ 317.05746 167.2
[M+H-H2O]+ 261.09156 153.8
[M+HCOO]- 323.09250 185.0
[M+CH3COO]- 337.10815 174.9
[M+Na-2H]- 299.06897 168.7
[M]+ 278.09375 163.6
[M]- 278.09485 163.6
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

No patent data available for this compound.