CID 3069805

2-methyl-alpha-((8-quinolinyloxy)methyl)-1-piperidineethanol

Structural Information

Molecular Formula
C18H24N2O2
SMILES
CC1CCCCN1CC(COC2=CC=CC3=C2N=CC=C3)O
InChI
InChI=1S/C18H24N2O2/c1-14-6-2-3-11-20(14)12-16(21)13-22-17-9-4-7-15-8-5-10-19-18(15)17/h4-5,7-10,14,16,21H,2-3,6,11-13H2,1H3
InChIKey
BFHPHTPPKLICBT-UHFFFAOYSA-N
Compound name
1-(2-methylpiperidin-1-yl)-3-quinolin-8-yloxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.18378 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.19106 173.0
[M+Na]+ 323.17300 177.0
[M-H]- 299.17650 175.0
[M+NH4]+ 318.21760 185.0
[M+K]+ 339.14694 172.4
[M+H-H2O]+ 283.18104 163.0
[M+HCOO]- 345.18198 186.5
[M+CH3COO]- 359.19763 202.7
[M+Na-2H]- 321.15845 176.0
[M]+ 300.18323 169.9
[M]- 300.18433 169.9
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.