CID 3077020

5-ethyl-1-methyl-1h,5h-imidazo(4,5-c)quinolin-4-one

Structural Information

Molecular Formula

C₁₃H₁₃N₃O

SMILES

CCN1C2=CC=CC=C2C3=C(C1=O)N=CN3C

InChI

InChI=1S/C13H13N3O/c1-3-16-10-7-5-4-6-9(10)12-11(13(16)17)14-8-15(12)2/h4-8H,3H2,1-2H3

InChIKey

ZDVFFNCNJLSIDP-UHFFFAOYSA-N

Compound name

5-ethyl-1-methylimidazo[4,5-c]quinolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 227.10587 Da
Monoisotopic Mass: 1.5
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]+	228.11315	149.5
[M+Na]+	250.09509	166.0
[M+NH4]+	245.13969	158.1
[M+K]+	266.06903	159.9
[M-H]-	226.09859	151.4
[M+Na-2H]-	248.08054	156.2
[M]+	227.10532	152.5
[M]-	227.10642	152.5

Literature stripe

literature stripe

Patent stripe

patents stripe