CID 54687936

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

Structural Information

Molecular Formula
C27H26O3
SMILES
C1=CC=C(C=C1)CCCC2C(=C(C(=O)O2)C(CC3=CC=CC=C3)C4=CC=CC=C4)O
InChI
InChI=1S/C27H26O3/c28-26-24(18-10-15-20-11-4-1-5-12-20)30-27(29)25(26)23(22-16-8-3-9-17-22)19-21-13-6-2-7-14-21/h1-9,11-14,16-17,23-24,28H,10,15,18-19H2
InChIKey
ZEKNTDGMAYJJRM-UHFFFAOYSA-N
Compound name
4-(1,2-diphenylethyl)-3-hydroxy-2-(3-phenylpropyl)-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.1882 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.19548 199.3
[M+Na]+ 421.17742 203.7
[M-H]- 397.18092 210.7
[M+NH4]+ 416.22202 209.0
[M+K]+ 437.15136 198.2
[M+H-H2O]+ 381.18546 189.5
[M+HCOO]- 443.18640 218.4
[M+CH3COO]- 457.20205 208.3
[M+Na-2H]- 419.16287 198.0
[M]+ 398.18765 199.5
[M]- 398.18875 199.5
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.