CID 91139

24210-96-6

Structural Information

Molecular Formula
C21H25NO2
SMILES
COC1=CC=C(C=C1)C(CC(=O)C2=CC=CC=C2)N3CCCCC3
InChI
InChI=1S/C21H25NO2/c1-24-19-12-10-17(11-13-19)20(22-14-6-3-7-15-22)16-21(23)18-8-4-2-5-9-18/h2,4-5,8-13,20H,3,6-7,14-16H2,1H3
InChIKey
XKIRIGWSQYNKBO-UHFFFAOYSA-N
Compound name
3-(4-methoxyphenyl)-1-phenyl-3-piperidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.18854 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.19582 180.1
[M+Na]+ 346.17776 193.3
[M+NH4]+ 341.22236 188.1
[M+K]+ 362.15170 185.1
[M-H]- 322.18126 185.8
[M+Na-2H]- 344.16321 189.1
[M]+ 323.18799 183.6
[M]- 323.18909 183.6
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.