CID 11970653

78972-51-7

Structural Information

Molecular Formula

C₄H₄N₂O₂S₂

SMILES

COC1=NC(=O)NC(=S)S1

InChI

InChI=1S/C4H4N2O2S2/c1-8-3-5-2(7)6-4(9)10-3/h1H3,(H,6,7,9)

InChIKey

KLEVLAOKPYVALO-UHFFFAOYSA-N

Compound name

6-methoxy-2-sulfanylidene-1,3,5-thiadiazin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 175.97142 Da
Monoisotopic Mass: 1.2
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]+	176.97870	127.7
[M+Na]+	198.96064	139.2
[M-H]-	174.96414	128.2
[M+NH4]+	194.00524	145.6
[M+K]+	214.93458	134.2
[M+H-H2O]+	158.96868	122.0
[M+HCOO]-	220.96962	139.5
[M+CH3COO]-	234.98527	172.7
[M+Na-2H]-	196.94609	130.5
[M]+	175.97087	129.8
[M]-	175.97197	129.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe