CID 60548

Brn 0298963

Structural Information

Molecular Formula

C₂₀H₂₉N₃O₃

SMILES

CCN(CC)CCNC(=O)C1=CC(=NC2=CC=CC=C21)OCCOCC

InChI

InChI=1S/C20H29N3O3/c1-4-23(5-2)12-11-21-20(24)17-15-19(26-14-13-25-6-3)22-18-10-8-7-9-16(17)18/h7-10,15H,4-6,11-14H2,1-3H3,(H,21,24)

InChIKey

XSDOFGFKRPRVEC-UHFFFAOYSA-N

Compound name

N-[2-(diethylamino)ethyl]-2-(2-ethoxyethoxy)quinoline-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 359.2209 Da
Monoisotopic Mass: 3.4
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]+	360.22818	189.0
[M+Na]+	382.21012	192.8
[M-H]-	358.21362	192.2
[M+NH4]+	377.25472	201.3
[M+K]+	398.18406	190.5
[M+H-H2O]+	342.21816	179.1
[M+HCOO]-	404.21910	210.6
[M+CH3COO]-	418.23475	225.5
[M+Na-2H]-	380.19557	192.2
[M]+	359.22035	195.4
[M]-	359.22145	195.4

Literature stripe

literature stripe

Patent stripe

patents stripe