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]+ 271.180496 165.4
[M+Na]+ 293.162438 170.3
[M-H]- 269.165944 167.5
[M+NH4]+ 288.207043 178.9
[M+K]+ 309.136378 164.8
[M+H-H2O]+ 253.170480 155.7
[M+HCOO]- 315.171421 180.2
[M+CH3COO]- 329.187071 174.6
[M+Na-2H]- 291.147886 170.0
[M]+ 270.17267142 161.1
[M]- 270.17376858 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