CID 3032821

Brn 0510800

Structural Information

Molecular Formula

C₄H₄N₂OS₃

SMILES

C1(=C(SNC1=S)S)C(=O)N

InChI

InChI=1S/C4H4N2OS3/c5-2(7)1-3(8)6-10-4(1)9/h9H,(H2,5,7)(H,6,8)

InChIKey

XQCCKHXLNGUXRZ-UHFFFAOYSA-N

Compound name

5-sulfanyl-3-sulfanylidene-1,2-thiazole-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 191.94858 Da
Monoisotopic Mass: -0.1
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]+	192.955856	134.0
[M+Na]+	214.937798	144.3
[M-H]-	190.941304	134.5
[M+NH4]+	209.982403	153.2
[M+K]+	230.911738	137.4
[M+H-H2O]+	174.945840	129.0
[M+HCOO]-	236.946781	140.3
[M+CH3COO]-	250.962431	179.0
[M+Na-2H]-	212.923246	131.9
[M]+	191.94803142	132.3
[M]-	191.94912858	132.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe