CID 9576040

Rhodia rp-13378

Structural Information

Molecular Formula

C₈H₁₈NO₄PS₄

SMILES

CNC(=O)C(CSP(=S)(OC)OC)[S@@](=O)CCS

InChI

InChI=1S/C8H18NO4PS4/c1-9-8(10)7(18(11)5-4-15)6-17-14(16,12-2)13-3/h7,15H,4-6H2,1-3H3,(H,9,10)/t7?,18-/m0/s1

InChIKey

WFODEHNCKQKZAF-SFONLDFMSA-N

Compound name

3-dimethoxyphosphinothioylsulfanyl-N-methyl-2-[(S)-2-sulfanylethylsulfinyl]propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 350.98563 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]+	351.992906	169.6
[M+Na]+	373.974848	171.4
[M-H]-	349.978354	165.0
[M+NH4]+	369.019453	181.0
[M+K]+	389.948788	164.2
[M+H-H2O]+	333.982890	159.1
[M+HCOO]-	395.983831	172.2
[M+CH3COO]-	409.999481	211.1
[M+Na-2H]-	371.960296	166.2
[M]+	350.98508142	170.6
[M]-	350.98617858	170.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.