CID 11971509

103807-33-6

Structural Information

Molecular Formula

C₁₁H₁₂N₂OS

SMILES

CC1C(=O)NC(=C(S1)C2=CC=NC=C2)C

InChI

InChI=1S/C11H12N2OS/c1-7-10(9-3-5-12-6-4-9)15-8(2)11(14)13-7/h3-6,8H,1-2H3,(H,13,14)

InChIKey

BASQBTAAMSCNOS-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 220.06703 Da
Monoisotopic Mass: 1.3
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]+	221.074306	146.7
[M+Na]+	243.056248	155.7
[M-H]-	219.059754	149.8
[M+NH4]+	238.100853	162.7
[M+K]+	259.030188	150.6
[M+H-H2O]+	203.064290	139.4
[M+HCOO]-	265.065231	160.5
[M+CH3COO]-	279.080881	158.5
[M+Na-2H]-	241.041696	148.7
[M]+	220.06648142	145.3
[M]-	220.06757858	145.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe