CID 3062227

3-chloro-4-(2-(4-piperidinyl)ethyl)quinoline hydrochloride

Structural Information

Molecular Formula
C16H19ClN2
SMILES
C1CNCCC1CCC2=C(C=NC3=CC=CC=C32)Cl
InChI
InChI=1S/C16H19ClN2/c17-15-11-19-16-4-2-1-3-14(16)13(15)6-5-12-7-9-18-10-8-12/h1-4,11-12,18H,5-10H2
InChIKey
TVVBVVALCFSDHR-UHFFFAOYSA-N
Compound name
3-chloro-4-(2-piperidin-4-ylethyl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

274.1237 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.13098 163.8
[M+Na]+ 297.11292 170.0
[M-H]- 273.11642 165.7
[M+NH4]+ 292.15752 178.1
[M+K]+ 313.08686 162.5
[M+H-H2O]+ 257.12096 154.8
[M+HCOO]- 319.12190 174.0
[M+CH3COO]- 333.13755 173.1
[M+Na-2H]- 295.09837 168.4
[M]+ 274.12315 159.9
[M]- 274.12425 159.9
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

patents stripe