CID 3075781

3-chloro-6-methoxy-4-(2-(1-methyl-4-piperidinyl)ethyl)quinoline

Structural Information

Molecular Formula
C18H23ClN2O
SMILES
CN1CCC(CC1)CCC2=C3C=C(C=CC3=NC=C2Cl)OC
InChI
InChI=1S/C18H23ClN2O/c1-21-9-7-13(8-10-21)3-5-15-16-11-14(22-2)4-6-18(16)20-12-17(15)19/h4,6,11-13H,3,5,7-10H2,1-2H3
InChIKey
JGUJRMFGADCUKS-UHFFFAOYSA-N
Compound name
3-chloro-6-methoxy-4-[2-(1-methylpiperidin-4-yl)ethyl]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

318.1499 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.15718 175.9
[M+Na]+ 341.13912 191.8
[M+NH4]+ 336.18372 185.1
[M+K]+ 357.11306 181.9
[M-H]- 317.14262 180.6
[M+Na-2H]- 339.12457 183.1
[M]+ 318.14935 180.0
[M]- 318.15045 180.0
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