CID 54687919

2(5h)-furanone, 3-(cyclopropylphenylmethyl)-4-hydroxy-5-(3-phenylpropyl)-5-propyl-

Structural Information

Molecular Formula
C26H30O3
SMILES
CCCC1(C(=C(C(=O)O1)C(C2CC2)C3=CC=CC=C3)O)CCCC4=CC=CC=C4
InChI
InChI=1S/C26H30O3/c1-2-17-26(18-9-12-19-10-5-3-6-11-19)24(27)23(25(28)29-26)22(21-15-16-21)20-13-7-4-8-14-20/h3-8,10-11,13-14,21-22,27H,2,9,12,15-18H2,1H3
InChIKey
NTDFBHIEFLSGQD-UHFFFAOYSA-N
Compound name
3-[cyclopropyl(phenyl)methyl]-4-hydroxy-5-(3-phenylpropyl)-5-propylfuran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.21948 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.22676 188.8
[M+Na]+ 413.20870 195.2
[M-H]- 389.21220 200.7
[M+NH4]+ 408.25330 197.0
[M+K]+ 429.18264 191.3
[M+H-H2O]+ 373.21674 181.2
[M+HCOO]- 435.21768 207.5
[M+CH3COO]- 449.23333 220.7
[M+Na-2H]- 411.19415 188.5
[M]+ 390.21893 193.2
[M]- 390.22003 193.2
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.