CID 13157287

Brn 5750718

Structural Information

Molecular Formula

C₁₆H₁₆ClNO₂

SMILES

CCOC(C)C1=CC2=C(N=C3C(=C2O1)C=CC=C3Cl)C

InChI

InChI=1S/C16H16ClNO2/c1-4-19-10(3)14-8-12-9(2)18-15-11(16(12)20-14)6-5-7-13(15)17/h5-8,10H,4H2,1-3H3

InChIKey

ODZIIXLJSDXDAS-UHFFFAOYSA-N

Compound name

6-chloro-2-(1-ethoxyethyl)-4-methylfuro[3,2-c]quinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 289.08694 Da
Monoisotopic Mass: 4.1
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]+	290.094216	165.5
[M+Na]+	312.076158	177.8
[M-H]-	288.079664	171.2
[M+NH4]+	307.120763	184.1
[M+K]+	328.050098	173.4
[M+H-H2O]+	272.084200	159.3
[M+HCOO]-	334.085141	182.0
[M+CH3COO]-	348.100791	178.8
[M+Na-2H]-	310.061606	170.3
[M]+	289.08639142	174.6
[M]-	289.08748858	174.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.