CID 3062231

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

Structural Information

Molecular Formula
C17H21ClN2O
SMILES
COC1=CC2=C(C(=CN=C2C=C1)Cl)CCC3CCNCC3
InChI
InChI=1S/C17H21ClN2O/c1-21-13-3-5-17-15(10-13)14(16(18)11-20-17)4-2-12-6-8-19-9-7-12/h3,5,10-12,19H,2,4,6-9H2,1H3
InChIKey
ACGZWTQIIOSSFL-UHFFFAOYSA-N
Compound name
3-chloro-6-methoxy-4-(2-piperidin-4-ylethyl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

304.13425 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.14153 171.8
[M+Na]+ 327.12347 178.4
[M-H]- 303.12697 173.9
[M+NH4]+ 322.16807 185.1
[M+K]+ 343.09741 171.3
[M+H-H2O]+ 287.13151 162.6
[M+HCOO]- 349.13245 181.9
[M+CH3COO]- 363.14810 180.9
[M+Na-2H]- 325.10892 175.1
[M]+ 304.13370 170.1
[M]- 304.13480 170.1
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