CID 3062237

3-chloro-4-(4-piperidinylmethyl)quinoline dihydrochloride

Structural Information

Molecular Formula
C15H17ClN2
SMILES
C1CNCCC1CC2=C(C=NC3=CC=CC=C32)Cl
InChI
InChI=1S/C15H17ClN2/c16-14-10-18-15-4-2-1-3-12(15)13(14)9-11-5-7-17-8-6-11/h1-4,10-11,17H,5-9H2
InChIKey
RMGHCRHRCZEWFH-UHFFFAOYSA-N
Compound name
3-chloro-4-(piperidin-4-ylmethyl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

260.10803 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.11531 159.8
[M+Na]+ 283.09725 175.4
[M+NH4]+ 278.14185 169.7
[M+K]+ 299.07119 165.7
[M-H]- 259.10075 164.4
[M+Na-2H]- 281.08270 168.1
[M]+ 260.10748 163.7
[M]- 260.10858 163.7
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