CID 3077038

Brn 5821143

Structural Information

Molecular Formula

C₁₅H₁₇N₃OS

SMILES

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

InChI

InChI=1S/C15H17N3OS/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

SLVBIFZPBAWHII-UHFFFAOYSA-N

Compound name

5-butyl-1-methyl-2-sulfanylidene-3H-imidazo[4,5-c]quinolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 287.10922 Da
Monoisotopic Mass: 2.1
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]+	288.11650	165.4
[M+Na]+	310.09844	179.2
[M-H]-	286.10194	167.1
[M+NH4]+	305.14304	182.3
[M+K]+	326.07238	171.6
[M+H-H2O]+	270.10648	158.7
[M+HCOO]-	332.10742	180.0
[M+CH3COO]-	346.12307	177.5
[M+Na-2H]-	308.08389	167.7
[M]+	287.10867	171.4
[M]-	287.10977	171.4

Literature stripe

literature stripe

Patent stripe

patents stripe