CID 54691202

2(5h)-furanone, 3-(1-phenylpropyl-2,2-dimethyl)-4-hydroxy-5-(3-phenylpropyl)-

Structural Information

Molecular Formula
C24H28O3
SMILES
CC(C)(C)C(C1=CC=CC=C1)C2=C(C(OC2=O)CCCC3=CC=CC=C3)O
InChI
InChI=1S/C24H28O3/c1-24(2,3)21(18-14-8-5-9-15-18)20-22(25)19(27-23(20)26)16-10-13-17-11-6-4-7-12-17/h4-9,11-12,14-15,19,21,25H,10,13,16H2,1-3H3
InChIKey
QOAWCRCEAMQLPG-UHFFFAOYSA-N
Compound name
4-(2,2-dimethyl-1-phenylpropyl)-3-hydroxy-2-(3-phenylpropyl)-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.20386 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.211136 190.9
[M+Na]+ 387.193078 196.0
[M-H]- 363.196584 199.7
[M+NH4]+ 382.237683 203.1
[M+K]+ 403.167018 192.1
[M+H-H2O]+ 347.201120 183.2
[M+HCOO]- 409.202061 208.4
[M+CH3COO]- 423.217711 215.0
[M+Na-2H]- 385.178526 190.5
[M]+ 364.20331142 192.6
[M]- 364.20440858 192.6
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.