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]+ 324.195816 179.3
[M+Na]+ 346.177758 181.3
[M-H]- 322.181264 185.7
[M+NH4]+ 341.222363 190.5
[M+K]+ 362.151698 177.1
[M+H-H2O]+ 306.185800 168.7
[M+HCOO]- 368.186741 195.4
[M+CH3COO]- 382.202391 208.6
[M+Na-2H]- 344.163206 179.9
[M]+ 323.18799142 175.3
[M]- 323.18908858 175.3
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.