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]+ 305.17608 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

No patent data available for this compound.