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 181.4
[M+Na]+ 359.16177 184.1
[M-H]- 335.16527 189.5
[M+NH4]+ 354.20637 193.6
[M+K]+ 375.13571 180.1
[M+H-H2O]+ 319.16981 171.8
[M+HCOO]- 381.17075 198.9
[M+CH3COO]- 395.18640 211.5
[M+Na-2H]- 357.14722 180.7
[M]+ 336.17200 178.4
[M]- 336.17310 178.4
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.