CID 472926

Nsc740946

Structural Information

Molecular Formula

C₁₁H₈ClN₃S

SMILES

C1=CC(=CC=C1C2=CN3C=C(SC3=N2)Cl)N

InChI

InChI=1S/C11H8ClN3S/c12-10-6-15-5-9(14-11(15)16-10)7-1-3-8(13)4-2-7/h1-6H,13H2

InChIKey

SMSGHMJYNKXMMW-UHFFFAOYSA-N

Compound name

4-(2-chloroimidazo[2,1-b][1,3]thiazol-6-yl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 249.01274 Da
Monoisotopic Mass: 3.8
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]+	250.02002	151.7
[M+Na]+	272.00196	165.7
[M-H]-	248.00546	158.5
[M+NH4]+	267.04656	172.8
[M+K]+	287.97590	159.4
[M+H-H2O]+	232.01000	145.9
[M+HCOO]-	294.01094	168.4
[M+CH3COO]-	308.02659	166.0
[M+Na-2H]-	269.98741	153.7
[M]+	249.01219	157.0
[M]-	249.01329	157.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.