CID 54687939

2(5h)-furanone, 3-(cyclopropylphenylmethyl)-4-hydroxy-5-(1,3-diphenylpropyl)-

Structural Information

Molecular Formula
C29H28O3
SMILES
C1CC1C(C2=CC=CC=C2)C3=C(C(OC3=O)C(CCC4=CC=CC=C4)C5=CC=CC=C5)O
InChI
InChI=1S/C29H28O3/c30-27-26(25(23-17-18-23)22-14-8-3-9-15-22)29(31)32-28(27)24(21-12-6-2-7-13-21)19-16-20-10-4-1-5-11-20/h1-15,23-25,28,30H,16-19H2
InChIKey
AKMUSKQOMHOQSK-UHFFFAOYSA-N
Compound name
4-[cyclopropyl(phenyl)methyl]-2-(1,3-diphenylpropyl)-3-hydroxy-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.20386 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.21114 192.8
[M+Na]+ 447.19308 197.8
[M-H]- 423.19658 207.0
[M+NH4]+ 442.23768 196.9
[M+K]+ 463.16702 193.2
[M+H-H2O]+ 407.20112 183.9
[M+HCOO]- 469.20206 211.2
[M+CH3COO]- 483.21771 201.5
[M+Na-2H]- 445.17853 191.0
[M]+ 424.20331 194.3
[M]- 424.20441 194.3
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.