CID 5744397

Brn 0308543

Structural Information

Molecular Formula

C₂₀H₂₉N₃O₃

SMILES

CCCCOC1=NC2=CC=CC=C2C(=C1)NC(=O)OCCN(CC)CC

InChI

InChI=1S/C20H29N3O3/c1-4-7-13-25-19-15-18(16-10-8-9-11-17(16)21-19)22-20(24)26-14-12-23(5-2)6-3/h8-11,15H,4-7,12-14H2,1-3H3,(H,21,22,24)

InChIKey

NKBLIDMWFPABSV-UHFFFAOYSA-N

Compound name

2-(diethylamino)ethyl N-(2-butoxyquinolin-4-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 359.2209 Da
Monoisotopic Mass: 4.7
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]+	360.228176	189.3
[M+Na]+	382.210118	193.2
[M-H]-	358.213624	192.6
[M+NH4]+	377.254723	201.7
[M+K]+	398.184058	190.9
[M+H-H2O]+	342.218160	179.5
[M+HCOO]-	404.219101	211.0
[M+CH3COO]-	418.234751	224.8
[M+Na-2H]-	380.195566	192.5
[M]+	359.22035142	195.6
[M]-	359.22144858	195.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe