CID 5271635

2-butylisothiazolo[5,4-b]pyridine-3-thione

Structural Information

Molecular Formula

C₁₀H₁₂N₂S₂

SMILES

CCCCN1C(=S)C2=C(S1)N=CC=C2

InChI

InChI=1S/C10H12N2S2/c1-2-3-7-12-10(13)8-5-4-6-11-9(8)14-12/h4-6H,2-3,7H2,1H3

InChIKey

RLAFUQUMYPCZLZ-UHFFFAOYSA-N

Compound name

2-butyl-[1,2]thiazolo[5,4-b]pyridine-3-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 224.04419 Da
Monoisotopic Mass: 2.6
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]+	225.05147	143.1
[M+Na]+	247.03341	156.0
[M-H]-	223.03691	146.1
[M+NH4]+	242.07801	163.5
[M+K]+	263.00735	150.3
[M+H-H2O]+	207.04145	137.6
[M+HCOO]-	269.04239	156.6
[M+CH3COO]-	283.05804	156.7
[M+Na-2H]-	245.01886	145.2
[M]+	224.04364	149.0
[M]-	224.04474	149.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.