CID 329952

51226-38-1

Structural Information

Molecular Formula

C₁₂H₁₀N₂S

SMILES

CC1=C(N=C2N1C=CS2)C3=CC=CC=C3

InChI

InChI=1S/C12H10N2S/c1-9-11(10-5-3-2-4-6-10)13-12-14(9)7-8-15-12/h2-8H,1H3

InChIKey

AYMDAFMHIPIUQI-UHFFFAOYSA-N

Compound name

5-methyl-6-phenylimidazo[2,1-b][1,3]thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 214.05647 Da
Monoisotopic Mass: 3.9
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]+	215.06375	144.4
[M+Na]+	237.04569	157.5
[M-H]-	213.04919	151.5
[M+NH4]+	232.09029	166.5
[M+K]+	253.01963	153.1
[M+H-H2O]+	197.05373	138.2
[M+HCOO]-	259.05467	165.2
[M+CH3COO]-	273.07032	159.3
[M+Na-2H]-	235.03114	147.3
[M]+	214.05592	149.4
[M]-	214.05702	149.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe