CID 3077040

133306-24-8

Structural Information

Molecular Formula

C₁₄H₁₅N₃O₂

SMILES

CN1C=NC2=C1C3=CC=CC=C3N(C2=O)CCOC

InChI

InChI=1S/C14H15N3O2/c1-16-9-15-12-13(16)10-5-3-4-6-11(10)17(14(12)18)7-8-19-2/h3-6,9H,7-8H2,1-2H3

InChIKey

RNALUGIWZHGINR-UHFFFAOYSA-N

Compound name

5-(2-methoxyethyl)-1-methylimidazo[4,5-c]quinolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 257.11642 Da
Monoisotopic Mass: 1.0
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]+	258.12370	157.8
[M+Na]+	280.10564	170.5
[M-H]-	256.10914	160.4
[M+NH4]+	275.15024	175.3
[M+K]+	296.07958	165.7
[M+H-H2O]+	240.11368	149.4
[M+HCOO]-	302.11462	179.0
[M+CH3COO]-	316.13027	170.8
[M+Na-2H]-	278.09109	164.5
[M]+	257.11587	164.3
[M]-	257.11697	164.3

Literature stripe

literature stripe

Patent stripe

patents stripe