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]+ 285.159746 168.0
[M+Na]+ 307.141688 172.9
[M-H]- 283.145194 173.2
[M+NH4]+ 302.186293 178.1
[M+K]+ 323.115628 168.9
[M+H-H2O]+ 267.149730 157.3
[M+HCOO]- 329.150671 183.5
[M+CH3COO]- 343.166321 177.4
[M+Na-2H]- 305.127136 172.5
[M]+ 284.15192142 164.3
[M]- 284.15301858 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.