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]+ 283.180496 168.7
[M+Na]+ 305.162438 173.1
[M-H]- 281.165944 173.1
[M+NH4]+ 300.207043 180.3
[M+K]+ 321.136378 167.3
[M+H-H2O]+ 265.170480 158.1
[M+HCOO]- 327.171421 184.7
[M+CH3COO]- 341.187071 177.8
[M+Na-2H]- 303.147886 172.1
[M]+ 282.17267142 163.4
[M]- 282.17376858 163.4
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.