CID 54691201

3-hydroxy-4-(2-methyl-1-phenyl-propyl)-2-(3-phenylpropyl)-2h-furan-5-one

Structural Information

Molecular Formula
C23H26O3
SMILES
CC(C)C(C1=CC=CC=C1)C2=C(C(OC2=O)CCCC3=CC=CC=C3)O
InChI
InChI=1S/C23H26O3/c1-16(2)20(18-13-7-4-8-14-18)21-22(24)19(26-23(21)25)15-9-12-17-10-5-3-6-11-17/h3-8,10-11,13-14,16,19-20,24H,9,12,15H2,1-2H3
InChIKey
IKNRGRBJVTXHOX-UHFFFAOYSA-N
Compound name
3-hydroxy-4-(2-methyl-1-phenylpropyl)-2-(3-phenylpropyl)-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.1882 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.19548 187.3
[M+Na]+ 373.17742 192.0
[M-H]- 349.18092 196.0
[M+NH4]+ 368.22202 199.7
[M+K]+ 389.15136 188.2
[M+H-H2O]+ 333.18546 179.2
[M+HCOO]- 395.18640 205.7
[M+CH3COO]- 409.20205 213.1
[M+Na-2H]- 371.16287 185.1
[M]+ 350.18765 188.5
[M]- 350.18875 188.5
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.