CID 54687917

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

Structural Information

Molecular Formula
C23H24O3
SMILES
CC1(C(=C(C(=O)O1)C(C2CC2)C3=CC=CC=C3)O)CCC4=CC=CC=C4
InChI
InChI=1S/C23H24O3/c1-23(15-14-16-8-4-2-5-9-16)21(24)20(22(25)26-23)19(18-12-13-18)17-10-6-3-7-11-17/h2-11,18-19,24H,12-15H2,1H3
InChIKey
JKJYEZOWMSSKOW-UHFFFAOYSA-N
Compound name
3-[cyclopropyl(phenyl)methyl]-4-hydroxy-5-methyl-5-(2-phenylethyl)furan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.17255 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.17983 176.4
[M+Na]+ 371.16177 184.2
[M-H]- 347.16527 189.0
[M+NH4]+ 366.20637 186.4
[M+K]+ 387.13571 180.9
[M+H-H2O]+ 331.16981 169.4
[M+HCOO]- 393.17075 196.1
[M+CH3COO]- 407.18640 187.4
[M+Na-2H]- 369.14722 177.7
[M]+ 348.17200 180.0
[M]- 348.17310 180.0
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.