CID 744770

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

Structural Information

Molecular Formula
C17H20N2O2
SMILES
C1COCCN1CC2=C(C=C(C=N2)CC3=CC=CC=C3)O
InChI
InChI=1S/C17H20N2O2/c20-17-11-15(10-14-4-2-1-3-5-14)12-18-16(17)13-19-6-8-21-9-7-19/h1-5,11-12,20H,6-10,13H2
InChIKey
TTWJMTDJYIBJDS-UHFFFAOYSA-N
Compound name
5-benzyl-2-(morpholin-4-ylmethyl)pyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

0
Patents

284.15247 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.15975 168.0
[M+Na]+ 307.14169 172.9
[M-H]- 283.14519 173.2
[M+NH4]+ 302.18629 178.1
[M+K]+ 323.11563 168.9
[M+H-H2O]+ 267.14973 157.3
[M+HCOO]- 329.15067 183.5
[M+CH3COO]- 343.16632 177.4
[M+Na-2H]- 305.12714 172.5
[M]+ 284.15192 164.3
[M]- 284.15302 164.3
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.