CID 3077034

Brn 5820164

Structural Information

Molecular Formula

C₁₆H₁₉N₃O

SMILES

CCCCN1C2=C(C=C(C=C2)C)C3=C(C1=O)N=CN3C

InChI

InChI=1S/C16H19N3O/c1-4-5-8-19-13-7-6-11(2)9-12(13)15-14(16(19)20)17-10-18(15)3/h6-7,9-10H,4-5,8H2,1-3H3

InChIKey

JAELTPJMENJSEX-UHFFFAOYSA-N

Compound name

5-butyl-1,8-dimethylimidazo[4,5-c]quinolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 269.1528 Da
Monoisotopic Mass: 2.7
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]+	270.160076	164.4
[M+Na]+	292.142018	177.4
[M-H]-	268.145524	167.1
[M+NH4]+	287.186623	181.9
[M+K]+	308.115958	171.5
[M+H-H2O]+	252.150060	156.1
[M+HCOO]-	314.151001	184.7
[M+CH3COO]-	328.166651	177.1
[M+Na-2H]-	290.127466	169.2
[M]+	269.15225142	170.6
[M]-	269.15334858	170.6

Literature stripe

literature stripe

Patent stripe

patents stripe