CID 3069806

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

Structural Information

Molecular Formula
C18H24N2O2
SMILES
CC1CCCN(C1)CC(COC2=CC=CC3=C2N=CC=C3)O
InChI
InChI=1S/C18H24N2O2/c1-14-5-4-10-20(11-14)12-16(21)13-22-17-8-2-6-15-7-3-9-19-18(15)17/h2-3,6-9,14,16,21H,4-5,10-13H2,1H3
InChIKey
UAPNCTZEDTWYOC-UHFFFAOYSA-N
Compound name
1-(3-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

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.191056 173.0
[M+Na]+ 323.172998 177.0
[M-H]- 299.176504 175.0
[M+NH4]+ 318.217603 185.0
[M+K]+ 339.146938 172.4
[M+H-H2O]+ 283.181040 163.0
[M+HCOO]- 345.181981 186.5
[M+CH3COO]- 359.197631 202.7
[M+Na-2H]- 321.158446 176.0
[M]+ 300.18323142 169.9
[M]- 300.18432858 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.