CID 3077037

Brn 5821142

Structural Information

Molecular Formula

C₁₅H₁₇N₃O₂

SMILES

CCCCN1C2=CC=CC=C2C3=C(C1=O)NC(=O)N3C

InChI

InChI=1S/C15H17N3O2/c1-3-4-9-18-11-8-6-5-7-10(11)13-12(14(18)19)16-15(20)17(13)2/h5-8H,3-4,9H2,1-2H3,(H,16,20)

InChIKey

SSUNWRQEYFCYRL-UHFFFAOYSA-N

Compound name

5-butyl-1-methyl-3H-imidazo[4,5-c]quinoline-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 271.13208 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]+	272.139356	162.6
[M+Na]+	294.121298	175.7
[M-H]-	270.124804	164.1
[M+NH4]+	289.165903	179.1
[M+K]+	310.095238	169.2
[M+H-H2O]+	254.129340	154.7
[M+HCOO]-	316.130281	182.1
[M+CH3COO]-	330.145931	174.9
[M+Na-2H]-	292.106746	167.6
[M]+	271.13153142	167.4
[M]-	271.13262858	167.4

Literature stripe

literature stripe

Patent stripe

patents stripe