CID 157027

77229-67-5

Structural Information

Molecular Formula

C₁₇H₂₃N₃O₂

SMILES

CC(CCCNC(=O)C)NC1=C2C(=CC(=C1)OC)C=CC=N2

InChI

InChI=1S/C17H23N3O2/c1-12(6-4-8-18-13(2)21)20-16-11-15(22-3)10-14-7-5-9-19-17(14)16/h5,7,9-12,20H,4,6,8H2,1-3H3,(H,18,21)

InChIKey

YVURERLGLAYCCQ-UHFFFAOYSA-N

Compound name

N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 301.17902 Da
Monoisotopic Mass: 2.6
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]+	302.186296	172.6
[M+Na]+	324.168238	177.6
[M-H]-	300.171744	175.1
[M+NH4]+	319.212843	186.8
[M+K]+	340.142178	174.5
[M+H-H2O]+	284.176280	164.0
[M+HCOO]-	346.177221	193.7
[M+CH3COO]-	360.192871	212.0
[M+Na-2H]-	322.153686	176.9
[M]+	301.17847142	174.7
[M]-	301.17956858	174.7

Literature stripe

literature stripe

Patent stripe

patents stripe