CID 54687933

3-[cyclopropyl(phenyl)methyl]-4-hydroxy-5-isopropyl-5-(3-phenylpropyl)furan-2-one

Structural Information

Molecular Formula
C26H30O3
SMILES
CC(C)C1(C(=C(C(=O)O1)C(C2CC2)C3=CC=CC=C3)O)CCCC4=CC=CC=C4
InChI
InChI=1S/C26H30O3/c1-18(2)26(17-9-12-19-10-5-3-6-11-19)24(27)23(25(28)29-26)22(21-15-16-21)20-13-7-4-8-14-20/h3-8,10-11,13-14,18,21-22,27H,9,12,15-17H2,1-2H3
InChIKey
XGMNRMUOZGEYQP-UHFFFAOYSA-N
Compound name
3-[cyclopropyl(phenyl)methyl]-4-hydroxy-5-(3-phenylpropyl)-5-propan-2-ylfuran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.21948 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.22676 188.0
[M+Na]+ 413.20870 194.1
[M-H]- 389.21220 200.0
[M+NH4]+ 408.25330 196.2
[M+K]+ 429.18264 190.7
[M+H-H2O]+ 373.21674 180.8
[M+HCOO]- 435.21768 205.8
[M+CH3COO]- 449.23333 221.5
[M+Na-2H]- 411.19415 186.8
[M]+ 390.21893 191.9
[M]- 390.22003 191.9
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.