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 180.8
[M-H]- 311.16527 181.2
[M+NH4]+ 330.20637 190.2
[M+K]+ 351.13571 176.8
[M+H-H2O]+ 295.16981 168.5
[M+HCOO]- 357.17075 196.5
[M+CH3COO]- 371.18640 205.5
[M+Na-2H]- 333.14722 178.0
[M]+ 312.17200 178.9
[M]- 312.17310 178.9
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.