CID 13525

Amidithion

Structural Information

Molecular Formula

C₇H₁₆NO₄PS₂

SMILES

COCCNC(=O)CSP(=S)(OC)OC

InChI

InChI=1S/C7H16NO4PS2/c1-10-5-4-8-7(9)6-15-13(14,11-2)12-3/h4-6H2,1-3H3,(H,8,9)

InChIKey

GDTZUQIYUMGJRT-UHFFFAOYSA-N

Compound name

2-dimethoxyphosphinothioylsulfanyl-N-(2-methoxyethyl)acetamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 5729
Patents: 273.02585 Da
Monoisotopic Mass: 0.6
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]+	274.033126	155.2
[M+Na]+	296.015068	160.0
[M-H]-	272.018574	153.6
[M+NH4]+	291.059673	171.9
[M+K]+	311.989008	157.8
[M+H-H2O]+	256.023110	146.3
[M+HCOO]-	318.024051	172.7
[M+CH3COO]-	332.039701	197.0
[M+Na-2H]-	294.000516	153.8
[M]+	273.02530142	162.5
[M]-	273.02639858	162.5

Literature stripe

literature stripe

Patent stripe

patents stripe