CID 3039847

1-(3-(phenylmethoxy)phenyl)-3-(1-piperidinyl)-1-propanone hydrochloride

Structural Information

Molecular Formula
C21H25NO2
SMILES
C1CCN(CC1)CCC(=O)C2=CC(=CC=C2)OCC3=CC=CC=C3
InChI
InChI=1S/C21H25NO2/c23-21(12-15-22-13-5-2-6-14-22)19-10-7-11-20(16-19)24-17-18-8-3-1-4-9-18/h1,3-4,7-11,16H,2,5-6,12-15,17H2
InChIKey
LEFCNAWKWKZFCV-UHFFFAOYSA-N
Compound name
1-(3-phenylmethoxyphenyl)-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 179.4
[M+Na]+ 346.17776 181.7
[M-H]- 322.18126 185.7
[M+NH4]+ 341.22236 190.7
[M+K]+ 362.15170 177.0
[M+H-H2O]+ 306.18580 168.6
[M+HCOO]- 368.18674 196.5
[M+CH3COO]- 382.20239 207.7
[M+Na-2H]- 344.16321 181.1
[M]+ 323.18799 176.0
[M]- 323.18909 176.0
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.