CID 5319455

100667-53-6

Structural Information

Molecular Formula
C20H24O3
SMILES
COC(CCC1=CC=C(C=C1)O)CC(=O)CCC2=CC=CC=C2
InChI
InChI=1S/C20H24O3/c1-23-20(14-10-17-7-11-18(21)12-8-17)15-19(22)13-9-16-5-3-2-4-6-16/h2-8,11-12,20-21H,9-10,13-15H2,1H3
InChIKey
XXVCRBHITJEJAY-UHFFFAOYSA-N
Compound name
7-(4-hydroxyphenyl)-5-methoxy-1-phenylheptan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.17255 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.17983 176.9
[M+Na]+ 335.16177 189.4
[M+NH4]+ 330.20637 184.0
[M+K]+ 351.13571 181.8
[M-H]- 311.16527 180.2
[M+Na-2H]- 333.14722 184.1
[M]+ 312.17200 179.6
[M]- 312.17310 179.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.