CID 54691000

2-ethyl-4-hydroxy-2-phenyl-5-(1-phenylpropyl)-3h-pyran-6-one

Structural Information

Molecular Formula
C22H24O3
SMILES
CCC(C1=CC=CC=C1)C2=C(CC(OC2=O)(CC)C3=CC=CC=C3)O
InChI
InChI=1S/C22H24O3/c1-3-18(16-11-7-5-8-12-16)20-19(23)15-22(4-2,25-21(20)24)17-13-9-6-10-14-17/h5-14,18,23H,3-4,15H2,1-2H3
InChIKey
HYWVWEZJWZDXEL-UHFFFAOYSA-N
Compound name
2-ethyl-4-hydroxy-2-phenyl-5-(1-phenylpropyl)-3H-pyran-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

336.17255 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.17983 182.3
[M+Na]+ 359.16177 188.0
[M-H]- 335.16527 191.0
[M+NH4]+ 354.20637 195.5
[M+K]+ 375.13571 184.5
[M+H-H2O]+ 319.16981 173.5
[M+HCOO]- 381.17075 199.8
[M+CH3COO]- 395.18640 209.4
[M+Na-2H]- 357.14722 184.6
[M]+ 336.17200 181.9
[M]- 336.17310 181.9
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.