CID 472919

Nsc740943

Structural Information

Molecular Formula

C₁₂H₉ClN₂OS

SMILES

COC1=CC=CC(=C1)C2=CN3C=C(SC3=N2)Cl

InChI

InChI=1S/C12H9ClN2OS/c1-16-9-4-2-3-8(5-9)10-6-15-7-11(13)17-12(15)14-10/h2-7H,1H3

InChIKey

GLXOTUWLPVFSAZ-UHFFFAOYSA-N

Compound name

2-chloro-6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 264.01242 Da
Monoisotopic Mass: 4.5
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]+	265.01970	155.9
[M+Na]+	287.00164	170.1
[M-H]-	263.00514	163.1
[M+NH4]+	282.04624	176.9
[M+K]+	302.97558	164.7
[M+H-H2O]+	247.00968	150.0
[M+HCOO]-	309.01062	172.0
[M+CH3COO]-	323.02627	170.3
[M+Na-2H]-	284.98709	157.5
[M]+	264.01187	164.4
[M]-	264.01297	164.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.