CID 54687924

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

Structural Information

Molecular Formula
C24H26O3
SMILES
CCC1(C(=C(C(=O)O1)C(C2CC2)C3=CC=CC=C3)O)CCC4=CC=CC=C4
InChI
InChI=1S/C24H26O3/c1-2-24(16-15-17-9-5-3-6-10-17)22(25)21(23(26)27-24)20(19-13-14-19)18-11-7-4-8-12-18/h3-12,19-20,25H,2,13-16H2,1H3
InChIKey
ZKMISRVPGGZGAX-UHFFFAOYSA-N
Compound name
3-[cyclopropyl(phenyl)methyl]-5-ethyl-4-hydroxy-5-(2-phenylethyl)furan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.1882 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.195476 180.6
[M+Na]+ 385.177418 187.9
[M-H]- 361.180924 192.9
[M+NH4]+ 380.222023 189.9
[M+K]+ 401.151358 184.4
[M+H-H2O]+ 345.185460 173.4
[M+HCOO]- 407.186401 199.9
[M+CH3COO]- 421.202051 191.1
[M+Na-2H]- 383.162866 181.3
[M]+ 362.18765142 184.4
[M]- 362.18874858 184.4
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.