CID 54691198

3-[cyclopropyl(phenyl)methyl]-4-hydroxy-5,5-bis(3-phenylpropyl)furan-2-one

Structural Information

Molecular Formula
C32H34O3
SMILES
C1CC1C(C2=CC=CC=C2)C3=C(C(OC3=O)(CCCC4=CC=CC=C4)CCCC5=CC=CC=C5)O
InChI
InChI=1S/C32H34O3/c33-30-29(28(27-20-21-27)26-18-8-3-9-19-26)31(34)35-32(30,22-10-16-24-12-4-1-5-13-24)23-11-17-25-14-6-2-7-15-25/h1-9,12-15,18-19,27-28,33H,10-11,16-17,20-23H2
InChIKey
ZCHVPZCPPPQMNO-UHFFFAOYSA-N
Compound name
3-[cyclopropyl(phenyl)methyl]-4-hydroxy-5,5-bis(3-phenylpropyl)furan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

466.2508 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.25808 207.0
[M+Na]+ 489.24002 211.9
[M-H]- 465.24352 220.9
[M+NH4]+ 484.28462 211.4
[M+K]+ 505.21396 207.2
[M+H-H2O]+ 449.24806 197.7
[M+HCOO]- 511.24900 225.0
[M+CH3COO]- 525.26465 214.9
[M+Na-2H]- 487.22547 205.6
[M]+ 466.25025 210.3
[M]- 466.25135 210.3
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.