CID 1485005

39066-99-4

Structural Information

Molecular Formula

C₁₁H₁₀N₂OS

SMILES

CC1=C(SC(=N1)C2=CN=CC=C2)C(=O)C

InChI

InChI=1S/C11H10N2OS/c1-7-10(8(2)14)15-11(13-7)9-4-3-5-12-6-9/h3-6H,1-2H3

InChIKey

NWSRUSOSLHVWOZ-UHFFFAOYSA-N

Compound name

1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 65
Patents: 218.05139 Da
Monoisotopic Mass: 2.0
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]+	219.05867	145.8
[M+Na]+	241.04061	156.2
[M-H]-	217.04411	151.1
[M+NH4]+	236.08521	164.4
[M+K]+	257.01455	152.6
[M+H-H2O]+	201.04865	138.6
[M+HCOO]-	263.04959	163.8
[M+CH3COO]-	277.06524	186.3
[M+Na-2H]-	239.02606	147.0
[M]+	218.05084	149.0
[M]-	218.05194	149.0

Literature stripe

literature stripe

Patent stripe

patents stripe