CID 209688

20168-84-7

Structural Information

Molecular Formula
C17H22ClN3O
SMILES
C1CN(CCC1CNC2=C3C=CC(=CC3=NC=C2)Cl)CCO
InChI
InChI=1S/C17H22ClN3O/c18-14-1-2-15-16(3-6-19-17(15)11-14)20-12-13-4-7-21(8-5-13)9-10-22/h1-3,6,11,13,22H,4-5,7-10,12H2,(H,19,20)
InChIKey
RPTRFRHMUDHZGK-UHFFFAOYSA-N
Compound name
2-[4-[[(7-chloroquinolin-4-yl)amino]methyl]piperidin-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.14514 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.15242 174.7
[M+Na]+ 342.13436 180.5
[M-H]- 318.13786 176.8
[M+NH4]+ 337.17896 187.1
[M+K]+ 358.10830 173.4
[M+H-H2O]+ 302.14240 165.4
[M+HCOO]- 364.14334 185.9
[M+CH3COO]- 378.15899 183.3
[M+Na-2H]- 340.11981 178.8
[M]+ 319.14459 172.5
[M]- 319.14569 172.5
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

patents stripe