CID 54687949

5-benzyl-5-ethyl-4-hydroxy-3-(1-phenylpropyl)furan-2-one

Structural Information

Molecular Formula
C22H24O3
SMILES
CCC(C1=CC=CC=C1)C2=C(C(OC2=O)(CC)CC3=CC=CC=C3)O
InChI
InChI=1S/C22H24O3/c1-3-18(17-13-9-6-10-14-17)19-20(23)22(4-2,25-21(19)24)15-16-11-7-5-8-12-16/h5-14,18,23H,3-4,15H2,1-2H3
InChIKey
QQOZJALZXUFPLL-UHFFFAOYSA-N
Compound name
5-benzyl-5-ethyl-4-hydroxy-3-(1-phenylpropyl)furan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
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 181.9
[M+Na]+ 359.16177 188.5
[M-H]- 335.16527 191.1
[M+NH4]+ 354.20637 197.1
[M+K]+ 375.13571 184.6
[M+H-H2O]+ 319.16981 174.3
[M+HCOO]- 381.17075 201.7
[M+CH3COO]- 395.18640 208.7
[M+Na-2H]- 357.14722 182.6
[M]+ 336.17200 183.7
[M]- 336.17310 183.7
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.