CID 54687932

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

Structural Information

Molecular Formula
C26H28O3
SMILES
C=CCC1(C(=C(C(=O)O1)C(C2CC2)C3=CC=CC=C3)O)CCCC4=CC=CC=C4
InChI
InChI=1S/C26H28O3/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/h2-8,10-11,13-14,21-22,27H,1,9,12,15-18H2
InChIKey
CIIKUGJZROEOAT-UHFFFAOYSA-N
Compound name
3-[cyclopropyl(phenyl)methyl]-4-hydroxy-5-(3-phenylpropyl)-5-prop-2-enylfuran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.20386 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.21114 188.3
[M+Na]+ 411.19308 195.0
[M-H]- 387.19658 200.2
[M+NH4]+ 406.23768 196.5
[M+K]+ 427.16702 190.5
[M+H-H2O]+ 371.20112 180.8
[M+HCOO]- 433.20206 207.1
[M+CH3COO]- 447.21771 220.0
[M+Na-2H]- 409.17853 188.0
[M]+ 388.20331 192.1
[M]- 388.20441 192.1
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.