CID 54687945

2(5h)-furanone, 3-(cyclopropylphenylmethyl)-4-hydroxy-5-[1-(2-hydroxyethyl)-3-phenylpropyl]-

Structural Information

Molecular Formula
C25H28O4
SMILES
C1CC1C(C2=CC=CC=C2)C3=C(C(OC3=O)C(CCC4=CC=CC=C4)CCO)O
InChI
InChI=1S/C25H28O4/c26-16-15-20(12-11-17-7-3-1-4-8-17)24-23(27)22(25(28)29-24)21(19-13-14-19)18-9-5-2-6-10-18/h1-10,19-21,24,26-27H,11-16H2
InChIKey
ITAKFOMOUFGTAR-UHFFFAOYSA-N
Compound name
4-[cyclopropyl(phenyl)methyl]-3-hydroxy-2-(1-hydroxy-5-phenylpentan-3-yl)-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.19876 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.20604 185.1
[M+Na]+ 415.18798 190.2
[M-H]- 391.19148 195.6
[M+NH4]+ 410.23258 190.4
[M+K]+ 431.16192 185.7
[M+H-H2O]+ 375.19602 177.4
[M+HCOO]- 437.19696 202.2
[M+CH3COO]- 451.21261 219.1
[M+Na-2H]- 413.17343 183.2
[M]+ 392.19821 188.0
[M]- 392.19931 188.0
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.