CID 54687905

4-[cyclopropyl(phenyl)methyl]-3-hydroxy-2-phenethyl-2h-furan-5-one

Structural Information

Molecular Formula
C22H22O3
SMILES
C1CC1C(C2=CC=CC=C2)C3=C(C(OC3=O)CCC4=CC=CC=C4)O
InChI
InChI=1S/C22H22O3/c23-21-18(14-11-15-7-3-1-4-8-15)25-22(24)20(21)19(17-12-13-17)16-9-5-2-6-10-16/h1-10,17-19,23H,11-14H2
InChIKey
YDQVYISPCGRVJG-UHFFFAOYSA-N
Compound name
4-[cyclopropyl(phenyl)methyl]-3-hydroxy-2-(2-phenylethyl)-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.1569 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.16418 171.5
[M+Na]+ 357.14612 178.9
[M-H]- 333.14962 183.9
[M+NH4]+ 352.19072 180.0
[M+K]+ 373.12006 174.8
[M+H-H2O]+ 317.15416 163.9
[M+HCOO]- 379.15510 191.9
[M+CH3COO]- 393.17075 182.5
[M+Na-2H]- 355.13157 172.3
[M]+ 334.15635 174.2
[M]- 334.15745 174.2
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.