CID 744728

3-pyridinol, 5-benzyl-2-(piperidinomethyl)-

Structural Information

Molecular Formula
C18H22N2O
SMILES
C1CCN(CC1)CC2=C(C=C(C=N2)CC3=CC=CC=C3)O
InChI
InChI=1S/C18H22N2O/c21-18-12-16(11-15-7-3-1-4-8-15)13-19-17(18)14-20-9-5-2-6-10-20/h1,3-4,7-8,12-13,21H,2,5-6,9-11,14H2
InChIKey
LWCZNOISFRHDQU-UHFFFAOYSA-N
Compound name
5-benzyl-2-(piperidin-1-ylmethyl)pyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

282.17322 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.18050 170.2
[M+Na]+ 305.16244 184.8
[M+NH4]+ 300.20704 178.6
[M+K]+ 321.13638 175.9
[M-H]- 281.16594 175.8
[M+Na-2H]- 303.14789 179.8
[M]+ 282.17267 173.9
[M]- 282.17377 173.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.