CID 1093278

Mls1547

Structural Information

Molecular Formula

C₁₉H₁₉ClN₄O

SMILES

C1CN(CCN1CC2=CC(=C3C=CC=NC3=C2O)Cl)C4=CC=CC=N4

InChI

InChI=1S/C19H19ClN4O/c20-16-12-14(19(25)18-15(16)4-3-7-22-18)13-23-8-10-24(11-9-23)17-5-1-2-6-21-17/h1-7,12,25H,8-11,13H2

InChIKey

OPEJNANYABTIGC-UHFFFAOYSA-N

Compound name

5-chloro-7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinolin-8-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 13
References: 18
Patents: 354.12473 Da
Monoisotopic Mass: 3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	355.13201	185.2
[M+Na]+	377.11395	192.9
[M-H]-	353.11745	187.9
[M+NH4]+	372.15855	193.0
[M+K]+	393.08789	184.3
[M+H-H2O]+	337.12199	172.6
[M+HCOO]-	399.12293	192.7
[M+CH3COO]-	413.13858	192.7
[M+Na-2H]-	375.09940	188.9
[M]+	354.12418	182.7
[M]-	354.12528	182.7

Literature stripe

literature stripe

Patent stripe

patents stripe