CID 216064

Sophamide

Structural Information

Molecular Formula

C₆H₁₄NO₄PS₂

SMILES

COCNC(=O)CSP(=S)(OC)OC

InChI

InChI=1S/C6H14NO4PS2/c1-9-5-7-6(8)4-14-12(13,10-2)11-3/h4-5H2,1-3H3,(H,7,8)

InChIKey

FCUBTKFQDYNIIC-UHFFFAOYSA-N

Compound name

2-dimethoxyphosphinothioylsulfanyl-N-(methoxymethyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4837
Patents: 259.0102 Da
Monoisotopic Mass: 0.7
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]+	260.01748	150.9
[M+Na]+	281.99942	156.1
[M-H]-	258.00292	149.4
[M+NH4]+	277.04402	168.1
[M+K]+	297.97336	154.1
[M+H-H2O]+	242.00746	142.2
[M+HCOO]-	304.00840	168.7
[M+CH3COO]-	318.02405	194.1
[M+Na-2H]-	279.98487	149.9
[M]+	259.00965	157.8
[M]-	259.01075	157.8

Literature stripe

literature stripe

Patent stripe

patents stripe