CID 3051612

Brn 0430400

Structural Information

Molecular Formula

C₂₀H₂₇N₃O₂

SMILES

CCCCOC1=NC2=CC=CC=C2C(=C1)C(=O)NCCN3CCCC3

InChI

InChI=1S/C20H27N3O2/c1-2-3-14-25-19-15-17(16-8-4-5-9-18(16)22-19)20(24)21-10-13-23-11-6-7-12-23/h4-5,8-9,15H,2-3,6-7,10-14H2,1H3,(H,21,24)

InChIKey

FJPJHMFAKBKUMJ-UHFFFAOYSA-N

Compound name

2-butoxy-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 341.21033 Da
Monoisotopic Mass: 4.2
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]+	342.21761	183.8
[M+Na]+	364.19955	187.6
[M-H]-	340.20305	187.3
[M+NH4]+	359.24415	196.5
[M+K]+	380.17349	182.9
[M+H-H2O]+	324.20759	173.6
[M+HCOO]-	386.20853	201.7
[M+CH3COO]-	400.22418	214.0
[M+Na-2H]-	362.18500	185.0
[M]+	341.20978	184.0
[M]-	341.21088	184.0

Literature stripe

literature stripe

Patent stripe

patents stripe