CID 54687921

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

Structural Information

Molecular Formula
C24H26O3
SMILES
CCCC1(C(=C(C(=O)O1)C(C2CC2)C3=CC=CC=C3)O)CC4=CC=CC=C4
InChI
InChI=1S/C24H26O3/c1-2-15-24(16-17-9-5-3-6-10-17)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
IZKFDAAOFLCIKY-UHFFFAOYSA-N
Compound name
5-benzyl-3-[cyclopropyl(phenyl)methyl]-4-hydroxy-5-propylfuran-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]+ 363.19548 180.6
[M+Na]+ 385.17742 187.9
[M-H]- 361.18092 192.9
[M+NH4]+ 380.22202 189.9
[M+K]+ 401.15136 184.4
[M+H-H2O]+ 345.18546 173.4
[M+HCOO]- 407.18640 199.9
[M+CH3COO]- 421.20205 191.1
[M+Na-2H]- 383.16287 181.3
[M]+ 362.18765 184.4
[M]- 362.18875 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.