CID 197982

19476-81-4

Structural Information

Molecular Formula

C₁₁H₂₂NO₅PS₂

SMILES

CCOC(=O)CCNC(=O)CSP(=S)(OCC)OCC

InChI

InChI=1S/C11H22NO5PS2/c1-4-15-11(14)7-8-12-10(13)9-20-18(19,16-5-2)17-6-3/h4-9H2,1-3H3,(H,12,13)

InChIKey

LZSNQFIVLHUVDL-UHFFFAOYSA-N

Compound name

ethyl 3-[(2-diethoxyphosphinothioylsulfanylacetyl)amino]propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 343.0677 Da
Monoisotopic Mass: 1.9
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]+	344.074976	174.4
[M+Na]+	366.056918	177.2
[M-H]-	342.060424	172.0
[M+NH4]+	361.101523	188.1
[M+K]+	382.030858	174.6
[M+H-H2O]+	326.064960	164.8
[M+HCOO]-	388.065901	190.1
[M+CH3COO]-	402.081551	209.9
[M+Na-2H]-	364.042366	170.9
[M]+	343.06715142	183.1
[M]-	343.06824858	183.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.