CID 5153297

496-89-9

Structural Information

Molecular Formula

C₃H₂N₂O₂S

SMILES

C1(=O)C(=O)NC(=S)N1

InChI

InChI=1S/C3H2N2O2S/c6-1-2(7)5-3(8)4-1/h(H2,4,5,6,7,8)

InChIKey

YLKQOIAYNHSOJU-UHFFFAOYSA-N

Compound name

2-sulfanylideneimidazolidine-4,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 68
Patents: 129.9837 Da
Monoisotopic Mass: -0.3
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]+	130.99098	123.1
[M+Na]+	152.97292	133.1
[M-H]-	128.97642	122.1
[M+NH4]+	148.01752	143.6
[M+K]+	168.94686	129.6
[M+H-H2O]+	112.98096	118.1
[M+HCOO]-	174.98190	137.6
[M+CH3COO]-	188.99755	161.8
[M+Na-2H]-	150.95837	124.0
[M]+	129.98315	119.8
[M]-	129.98425	119.8

Literature stripe

literature stripe

Patent stripe

patents stripe