CID 207686

Brn 1076418

Structural Information

Molecular Formula

C₁₁H₉NO₂S₂

SMILES

C1C(=O)N=C(SC1=O)SCC2=CC=CC=C2

InChI

InChI=1S/C11H9NO2S2/c13-9-6-10(14)16-11(12-9)15-7-8-4-2-1-3-5-8/h1-5H,6-7H2

InChIKey

IASGZQREPXNBJR-UHFFFAOYSA-N

Compound name

2-benzylsulfanyl-1,3-thiazine-4,6-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 251.00748 Da
Monoisotopic Mass: 2.6
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]+	252.014756	150.4
[M+Na]+	273.996698	159.0
[M-H]-	250.000204	155.5
[M+NH4]+	269.041303	166.9
[M+K]+	289.970638	153.5
[M+H-H2O]+	234.004740	143.5
[M+HCOO]-	296.005681	161.9
[M+CH3COO]-	310.021331	188.8
[M+Na-2H]-	271.982146	151.7
[M]+	251.00693142	151.3
[M]-	251.00802858	151.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.