CID 24843855

Propiophenone, 3-(4-benzylpiperidino)-4'-methoxy-, hydrochloride

Structural Information

Molecular Formula
C22H27NO2
SMILES
COC1=CC=C(C=C1)C(=O)CCN2CCC(CC2)CC3=CC=CC=C3
InChI
InChI=1S/C22H27NO2/c1-25-21-9-7-20(8-10-21)22(24)13-16-23-14-11-19(12-15-23)17-18-5-3-2-4-6-18/h2-10,19H,11-17H2,1H3
InChIKey
UMCFQTSNVOBOHU-UHFFFAOYSA-N
Compound name
3-(4-benzylpiperidin-1-yl)-1-(4-methoxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

337.2042 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.21148 184.0
[M+Na]+ 360.19342 186.8
[M-H]- 336.19692 190.5
[M+NH4]+ 355.23802 195.1
[M+K]+ 376.16736 181.8
[M+H-H2O]+ 320.20146 173.2
[M+HCOO]- 382.20240 200.7
[M+CH3COO]- 396.21805 211.8
[M+Na-2H]- 358.17887 184.4
[M]+ 337.20365 181.3
[M]- 337.20475 181.4
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.