CID 3062081

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

Structural Information

Molecular Formula
C17H22N2O
SMILES
COC1=CC2=C(C=CN=C2C=C1)CCC3CCNCC3
InChI
InChI=1S/C17H22N2O/c1-20-15-4-5-17-16(12-15)14(8-11-19-17)3-2-13-6-9-18-10-7-13/h4-5,8,11-13,18H,2-3,6-7,9-10H2,1H3
InChIKey
WSRWMBHIYMFDES-UHFFFAOYSA-N
Compound name
6-methoxy-4-(2-piperidin-4-ylethyl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

270.17322 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.18050 165.4
[M+Na]+ 293.16244 170.3
[M-H]- 269.16594 167.5
[M+NH4]+ 288.20704 178.9
[M+K]+ 309.13638 164.8
[M+H-H2O]+ 253.17048 155.7
[M+HCOO]- 315.17142 180.2
[M+CH3COO]- 329.18707 174.6
[M+Na-2H]- 291.14789 170.0
[M]+ 270.17267 161.1
[M]- 270.17377 161.1
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