CID 3709679

877-49-6

Structural Information

Molecular Formula

C₇H₁₂N₂OS₂

SMILES

CN1C(=O)C(NC1=S)CCSC

InChI

InChI=1S/C7H12N2OS2/c1-9-6(10)5(3-4-12-2)8-7(9)11/h5H,3-4H2,1-2H3,(H,8,11)

InChIKey

GQSMFARWFJRERX-UHFFFAOYSA-N

Compound name

3-methyl-5-(2-methylsulfanylethyl)-2-sulfanylideneimidazolidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 204.03911 Da
Monoisotopic Mass: 0.8
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]+	205.04639	141.6
[M+Na]+	227.02833	151.1
[M-H]-	203.03183	141.4
[M+NH4]+	222.07293	160.5
[M+K]+	243.00227	146.4
[M+H-H2O]+	187.03637	136.4
[M+HCOO]-	249.03731	150.2
[M+CH3COO]-	263.05296	181.3
[M+Na-2H]-	225.01378	138.1
[M]+	204.03856	142.2
[M]-	204.03966	142.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe