CID 203843

Piperidine, 1-(4-methoxy-2-phenylphenethyl)-, hydrochloride

Structural Information

Molecular Formula
C20H25NO
SMILES
COC1=CC(=C(C=C1)CCN2CCCCC2)C3=CC=CC=C3
InChI
InChI=1S/C20H25NO/c1-22-19-11-10-18(12-15-21-13-6-3-7-14-21)20(16-19)17-8-4-2-5-9-17/h2,4-5,8-11,16H,3,6-7,12-15H2,1H3
InChIKey
TZVTTYWVSSCMEC-UHFFFAOYSA-N
Compound name
1-[2-(4-methoxy-2-phenylphenyl)ethyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.1936 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.200876 172.8
[M+Na]+ 318.182818 176.7
[M-H]- 294.186324 179.6
[M+NH4]+ 313.227423 186.0
[M+K]+ 334.156758 171.7
[M+H-H2O]+ 278.190860 162.4
[M+HCOO]- 340.191801 190.9
[M+CH3COO]- 354.207451 182.4
[M+Na-2H]- 316.168266 175.5
[M]+ 295.19305142 169.4
[M]- 295.19414858 169.4
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.