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]+ 309.091996 169.6
[M+Na]+ 331.073938 177.0
[M-H]- 307.077444 170.9
[M+NH4]+ 326.118543 183.2
[M+K]+ 347.047878 168.6
[M+H-H2O]+ 291.081980 161.1
[M+HCOO]- 353.082921 174.7
[M+CH3COO]- 367.098571 178.4
[M+Na-2H]- 329.059386 172.6
[M]+ 308.08417142 167.3
[M]- 308.08526858 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