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]+ 261.115306 159.3
[M+Na]+ 283.097248 166.0
[M-H]- 259.100754 161.4
[M+NH4]+ 278.141853 174.2
[M+K]+ 299.071188 158.7
[M+H-H2O]+ 243.105290 150.5
[M+HCOO]- 305.106231 169.9
[M+CH3COO]- 319.121881 169.1
[M+Na-2H]- 281.082696 164.5
[M]+ 260.10748142 155.1
[M]- 260.10857858 155.1
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