CID 3077019

4h-imidazo(4,5-c)quinolin-4-one, 1,5-dihydro-1,5-dimethyl-

Structural Information

Molecular Formula

C₁₂H₁₁N₃O

SMILES

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

InChI

InChI=1S/C12H11N3O/c1-14-7-13-10-11(14)8-5-3-4-6-9(8)15(2)12(10)16/h3-7H,1-2H3

InChIKey

KCPKRGHQVCZYTA-UHFFFAOYSA-N

Compound name

1,5-dimethylimidazo[4,5-c]quinolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 213.09021 Da
Monoisotopic Mass: 1.1
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]+	214.097486	145.3
[M+Na]+	236.079428	159.3
[M-H]-	212.082934	148.4
[M+NH4]+	231.124033	164.8
[M+K]+	252.053368	154.3
[M+H-H2O]+	196.087470	137.5
[M+HCOO]-	258.088411	167.1
[M+CH3COO]-	272.104061	159.5
[M+Na-2H]-	234.064876	153.1
[M]+	213.08966142	149.8
[M]-	213.09075858	149.8

Literature stripe

literature stripe

Patent stripe

patents stripe