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]+ 365.21114 190.9
[M+Na]+ 387.19308 196.0
[M-H]- 363.19658 199.7
[M+NH4]+ 382.23768 203.1
[M+K]+ 403.16702 192.1
[M+H-H2O]+ 347.20112 183.2
[M+HCOO]- 409.20206 208.4
[M+CH3COO]- 423.21771 215.0
[M+Na-2H]- 385.17853 190.5
[M]+ 364.20331 192.6
[M]- 364.20441 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.