CID 77166

N,n'-thiobis(acetamide)

Structural Information

Molecular Formula

C₄H₈N₂O₂S

SMILES

CC(=O)NSNC(=O)C

InChI

InChI=1S/C4H8N2O2S/c1-3(7)5-9-6-4(2)8/h1-2H3,(H,5,7)(H,6,8)

InChIKey

FNECJRWVEJAAEC-UHFFFAOYSA-N

Compound name

N-acetamidosulfanylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 148.03065 Da
Monoisotopic Mass: -0.5
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]+	149.037926	129.3
[M+Na]+	171.019868	135.5
[M-H]-	147.023374	129.8
[M+NH4]+	166.064473	150.2
[M+K]+	186.993808	134.9
[M+H-H2O]+	131.027910	123.6
[M+HCOO]-	193.028851	148.7
[M+CH3COO]-	207.044501	177.2
[M+Na-2H]-	169.005316	132.0
[M]+	148.03010142	130.0
[M]-	148.03119858	130.0

Literature stripe

literature stripe

Patent stripe

patents stripe