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]+ 363.19548 179.2
[M+Na]+ 385.17742 185.4
[M-H]- 361.18092 191.2
[M+NH4]+ 380.22202 186.5
[M+K]+ 401.15136 181.3
[M+H-H2O]+ 345.18546 171.5
[M+HCOO]- 407.18640 198.0
[M+CH3COO]- 421.20205 216.4
[M+Na-2H]- 383.16287 178.0
[M]+ 362.18765 182.0
[M]- 362.18875 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.