CID 453058

133671-53-1

Structural Information

Molecular Formula
C20H21N3
SMILES
CC1CCN(CC1)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=N4
InChI
InChI=1S/C20H21N3/c1-15-9-12-23(13-10-15)20-14-19(18-8-4-5-11-21-18)22-17-7-3-2-6-16(17)20/h2-8,11,14-15H,9-10,12-13H2,1H3
InChIKey
BYNKWNSJUKRNAF-UHFFFAOYSA-N
Compound name
4-(4-methylpiperidin-1-yl)-2-pyridin-2-ylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

303.17355 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.18083 175.6
[M+Na]+ 326.16277 181.9
[M-H]- 302.16627 180.8
[M+NH4]+ 321.20737 186.5
[M+K]+ 342.13671 174.7
[M+H-H2O]+ 286.17081 163.1
[M+HCOO]- 348.17175 190.2
[M+CH3COO]- 362.18740 184.5
[M+Na-2H]- 324.14822 180.4
[M]+ 303.17300 170.7
[M]- 303.17410 170.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.