CID 985381

181775-85-9

Structural Information

Molecular Formula

C₂₄H₂₃N₃

SMILES

CN1CCN(CC1)C2=CC(=NC3=CC=CC=C32)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C24H23N3/c1-26-12-14-27(15-13-26)24-17-23(25-22-9-5-4-8-21(22)24)20-11-10-18-6-2-3-7-19(18)16-20/h2-11,16-17H,12-15H2,1H3

InChIKey

XLKNYJHOWPSASL-UHFFFAOYSA-N

Compound name

4-(4-methylpiperazin-1-yl)-2-naphthalen-2-ylquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 353.1892 Da
Monoisotopic Mass: 5.0
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]+	354.196476	189.4
[M+Na]+	376.178418	196.9
[M-H]-	352.181924	195.6
[M+NH4]+	371.223023	199.1
[M+K]+	392.152358	187.9
[M+H-H2O]+	336.186460	175.7
[M+HCOO]-	398.187401	203.3
[M+CH3COO]-	412.203051	197.6
[M+Na-2H]-	374.163866	194.9
[M]+	353.18865142	185.9
[M]-	353.18974858	185.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.