CID 11971510

103807-34-7

Structural Information

Molecular Formula

C₁₂H₁₄N₂OS

SMILES

CCC1C(=O)NC(=C(S1)C2=CC=NC=C2)C

InChI

InChI=1S/C12H14N2OS/c1-3-10-12(15)14-8(2)11(16-10)9-4-6-13-7-5-9/h4-7,10H,3H2,1-2H3,(H,14,15)

InChIKey

VYLRKCVSVIYLTR-UHFFFAOYSA-N

Compound name

2-ethyl-5-methyl-6-pyridin-4-yl-4H-1,4-thiazin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 234.08269 Da
Monoisotopic Mass: 1.9
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]+	235.089966	151.1
[M+Na]+	257.071908	159.5
[M-H]-	233.075414	153.9
[M+NH4]+	252.116513	166.4
[M+K]+	273.045848	154.2
[M+H-H2O]+	217.079950	143.5
[M+HCOO]-	279.080891	164.5
[M+CH3COO]-	293.096541	187.8
[M+Na-2H]-	255.057356	152.6
[M]+	234.08214142	149.9
[M]-	234.08323858	149.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe