CID 215183

35133-56-3

Structural Information

Molecular Formula
C23H31NO2
SMILES
CCOC1=CC=C(C=C1)C(C(C)N2CCC(CC2)CC3=CC=CC=C3)O
InChI
InChI=1S/C23H31NO2/c1-3-26-22-11-9-21(10-12-22)23(25)18(2)24-15-13-20(14-16-24)17-19-7-5-4-6-8-19/h4-12,18,20,23,25H,3,13-17H2,1-2H3
InChIKey
XIGYWDAYEMUKDE-UHFFFAOYSA-N
Compound name
2-(4-benzylpiperidin-1-yl)-1-(4-ethoxyphenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.23547 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.242746 189.3
[M+Na]+ 376.224688 190.6
[M-H]- 352.228194 194.2
[M+NH4]+ 371.269293 199.0
[M+K]+ 392.198628 185.8
[M+H-H2O]+ 336.232730 178.8
[M+HCOO]- 398.233671 203.0
[M+CH3COO]- 412.249321 213.9
[M+Na-2H]- 374.210136 187.7
[M]+ 353.23492142 185.3
[M]- 353.23601858 185.3
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.