CID 2859689

5520-88-7

Structural Information

Molecular Formula
C22H24O3
SMILES
COC1=CC=C(C=C1)C(CC(=O)C2=CC=CC=C2)C3CCCCC3=O
InChI
InChI=1S/C22H24O3/c1-25-18-13-11-16(12-14-18)20(19-9-5-6-10-21(19)23)15-22(24)17-7-3-2-4-8-17/h2-4,7-8,11-14,19-20H,5-6,9-10,15H2,1H3
InChIKey
ZHCIBQAOOXEWGW-UHFFFAOYSA-N
Compound name
2-[1-(4-methoxyphenyl)-3-oxo-3-phenylpropyl]cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

336.17255 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.17983 182.0
[M+Na]+ 359.16177 195.2
[M+NH4]+ 354.20637 189.8
[M+K]+ 375.13571 187.1
[M-H]- 335.16527 187.8
[M+Na-2H]- 357.14722 190.4
[M]+ 336.17200 185.5
[M]- 336.17310 185.5
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.