CID 453071

4-(4-methylpiperazino)-2-(4-pyridyl)quinoline

Structural Information

Molecular Formula
C19H20N4
SMILES
CN1CCN(CC1)C2=CC(=NC3=CC=CC=C32)C4=CC=NC=C4
InChI
InChI=1S/C19H20N4/c1-22-10-12-23(13-11-22)19-14-18(15-6-8-20-9-7-15)21-17-5-3-2-4-16(17)19/h2-9,14H,10-13H2,1H3
InChIKey
DBDJNROBPJKNNI-UHFFFAOYSA-N
Compound name
4-(4-methylpiperazin-1-yl)-2-pyridin-4-ylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

304.1688 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.17608 176.5
[M+Na]+ 327.15802 183.3
[M-H]- 303.16152 180.5
[M+NH4]+ 322.20262 186.0
[M+K]+ 343.13196 175.9
[M+H-H2O]+ 287.16606 163.4
[M+HCOO]- 349.16700 190.0
[M+CH3COO]- 363.18265 185.0
[M+Na-2H]- 325.14347 181.8
[M]+ 304.16825 171.7
[M]- 304.16935 171.7
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

patents stripe