CID 45051277

2-(4-methoxyphenyl)-4-(1-piperidinyl)quinoline

Structural Information

Molecular Formula
C21H22N2O
SMILES
COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)N4CCCCC4
InChI
InChI=1S/C21H22N2O/c1-24-17-11-9-16(10-12-17)20-15-21(23-13-5-2-6-14-23)18-7-3-4-8-19(18)22-20/h3-4,7-12,15H,2,5-6,13-14H2,1H3
InChIKey
RWMXNFVPXADWCF-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-4-piperidin-1-ylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

318.17322 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.180496 178.1
[M+Na]+ 341.162438 183.7
[M-H]- 317.165944 184.7
[M+NH4]+ 336.207043 189.7
[M+K]+ 357.136378 177.4
[M+H-H2O]+ 301.170480 166.2
[M+HCOO]- 363.171421 194.0
[M+CH3COO]- 377.187071 187.2
[M+Na-2H]- 339.147886 182.4
[M]+ 318.17267142 174.4
[M]- 318.17376858 174.4
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