CID 54687942

2(5h)-furanone, 3-(cyclopropylphenylmethyl)-4-hydroxy-5-(1-phenylbutyl)-

Structural Information

Molecular Formula
C24H26O3
SMILES
CCCC(C1C(=C(C(=O)O1)C(C2CC2)C3=CC=CC=C3)O)C4=CC=CC=C4
InChI
InChI=1S/C24H26O3/c1-2-9-19(16-10-5-3-6-11-16)23-22(25)21(24(26)27-23)20(18-14-15-18)17-12-7-4-8-13-17/h3-8,10-13,18-20,23,25H,2,9,14-15H2,1H3
InChIKey
GIVACGQMHQDERC-UHFFFAOYSA-N
Compound name
4-[cyclopropyl(phenyl)methyl]-3-hydroxy-2-(1-phenylbutyl)-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.1882 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.195476 179.2
[M+Na]+ 385.177418 185.4
[M-H]- 361.180924 191.2
[M+NH4]+ 380.222023 186.5
[M+K]+ 401.151358 181.3
[M+H-H2O]+ 345.185460 171.5
[M+HCOO]- 407.186401 198.0
[M+CH3COO]- 421.202051 216.4
[M+Na-2H]- 383.162866 178.0
[M]+ 362.18765142 182.0
[M]- 362.18874858 182.0
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.