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

2
Annotation Hits: 0
References: 5790
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]+	274.03313	155.2
[M+Na]+	296.01507	160.0
[M-H]-	272.01857	153.6
[M+NH4]+	291.05967	171.9
[M+K]+	311.98901	157.8
[M+H-H2O]+	256.02311	146.3
[M+HCOO]-	318.02405	172.7
[M+CH3COO]-	332.03970	197.0
[M+Na-2H]-	294.00052	153.8
[M]+	273.02530	162.5
[M]-	273.02640	162.5

Literature stripe

literature stripe

Patent stripe

patents stripe