CID 3062229

3,6-dichloro-4-(2-(4-piperidinyl)ethyl)quinoline dihydrochloride

Structural Information

Molecular Formula
C16H18Cl2N2
SMILES
C1CNCCC1CCC2=C3C=C(C=CC3=NC=C2Cl)Cl
InChI
InChI=1S/C16H18Cl2N2/c17-12-2-4-16-14(9-12)13(15(18)10-20-16)3-1-11-5-7-19-8-6-11/h2,4,9-11,19H,1,3,5-8H2
InChIKey
IXYYQCYFGTVUBM-UHFFFAOYSA-N
Compound name
3,6-dichloro-4-(2-piperidin-4-ylethyl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

308.08472 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.09200 169.6
[M+Na]+ 331.07394 177.0
[M-H]- 307.07744 170.9
[M+NH4]+ 326.11854 183.2
[M+K]+ 347.04788 168.6
[M+H-H2O]+ 291.08198 161.1
[M+HCOO]- 353.08292 174.7
[M+CH3COO]- 367.09857 178.4
[M+Na-2H]- 329.05939 172.6
[M]+ 308.08417 167.3
[M]- 308.08527 167.3
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