CID 54687916

3-hydroxy-2-phenethyl-4-(1-phenylpropyl)-2h-furan-5-one

Structural Information

Molecular Formula
C21H22O3
SMILES
CCC(C1=CC=CC=C1)C2=C(C(OC2=O)CCC3=CC=CC=C3)O
InChI
InChI=1S/C21H22O3/c1-2-17(16-11-7-4-8-12-16)19-20(22)18(24-21(19)23)14-13-15-9-5-3-6-10-15/h3-12,17-18,22H,2,13-14H2,1H3
InChIKey
RHFUMMXKWLPNLU-UHFFFAOYSA-N
Compound name
3-hydroxy-2-(2-phenylethyl)-4-(1-phenylpropyl)-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.1569 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.16418 177.9
[M+Na]+ 345.14612 183.9
[M-H]- 321.14962 186.9
[M+NH4]+ 340.19072 191.6
[M+K]+ 361.12006 180.0
[M+H-H2O]+ 305.15416 170.0
[M+HCOO]- 367.15510 198.0
[M+CH3COO]- 381.17075 206.3
[M+Na-2H]- 343.13157 177.9
[M]+ 322.15635 179.0
[M]- 322.15745 179.0
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.