CID 514164

Chembl144401

Structural Information

Molecular Formula

C₇H₄N₂O₂S₂

SMILES

C1=CSC(=C1)C2=NC(=O)NC(=O)S2

InChI

InChI=1S/C7H4N2O2S2/c10-6-8-5(13-7(11)9-6)4-2-1-3-12-4/h1-3H,(H,9,10,11)

InChIKey

PKFXYXDJESXNIT-UHFFFAOYSA-N

Compound name

6-thiophen-2-yl-1,3,5-thiadiazine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 211.97142 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]+	212.97870	138.6
[M+Na]+	234.96064	151.2
[M-H]-	210.96414	142.8
[M+NH4]+	230.00524	157.1
[M+K]+	250.93458	145.5
[M+H-H2O]+	194.96868	132.9
[M+HCOO]-	256.96962	152.4
[M+CH3COO]-	270.98527	152.2
[M+Na-2H]-	232.94609	140.2
[M]+	211.97087	140.8
[M]-	211.97197	140.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.