CID 54691196

3-[cyclopropyl(phenyl)methyl]-4-hydroxy-5-phenethyl-5-propyl-furan-2-one

Structural Information

Molecular Formula
C25H28O3
SMILES
CCCC1(C(=C(C(=O)O1)C(C2CC2)C3=CC=CC=C3)O)CCC4=CC=CC=C4
InChI
InChI=1S/C25H28O3/c1-2-16-25(17-15-18-9-5-3-6-10-18)23(26)22(24(27)28-25)21(20-13-14-20)19-11-7-4-8-12-19/h3-12,20-21,26H,2,13-17H2,1H3
InChIKey
KHJOOYIZFIOMON-UHFFFAOYSA-N
Compound name
3-[cyclopropyl(phenyl)methyl]-4-hydroxy-5-(2-phenylethyl)-5-propylfuran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.20386 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.21114 184.7
[M+Na]+ 399.19308 191.6
[M-H]- 375.19658 196.8
[M+NH4]+ 394.23768 193.5
[M+K]+ 415.16702 187.8
[M+H-H2O]+ 359.20112 177.3
[M+HCOO]- 421.20206 203.7
[M+CH3COO]- 435.21771 217.9
[M+Na-2H]- 397.17853 184.9
[M]+ 376.20331 188.8
[M]- 376.20441 188.8
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.