CID 453063

Chembl49678

Structural Information

Molecular Formula
C19H20N4
SMILES
CN1CCN(CC1)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=N4
InChI
InChI=1S/C19H20N4/c1-22-10-12-23(13-11-22)19-14-18(17-8-4-5-9-20-17)21-16-7-3-2-6-15(16)19/h2-9,14H,10-13H2,1H3
InChIKey
XYSNLULENDDWAK-UHFFFAOYSA-N
Compound name
4-(4-methylpiperazin-1-yl)-2-pyridin-2-ylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

304.1688 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.176076 176.5
[M+Na]+ 327.158018 183.3
[M-H]- 303.161524 180.5
[M+NH4]+ 322.202623 186.0
[M+K]+ 343.131958 175.9
[M+H-H2O]+ 287.166060 163.4
[M+HCOO]- 349.167001 190.0
[M+CH3COO]- 363.182651 185.0
[M+Na-2H]- 325.143466 181.8
[M]+ 304.16825142 171.7
[M]- 304.16934858 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

No patent data available for this compound.