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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.99291 169.6
[M+Na]+ 373.97485 171.4
[M-H]- 349.97835 165.0
[M+NH4]+ 369.01945 181.0
[M+K]+ 389.94879 164.2
[M+H-H2O]+ 333.98289 159.1
[M+HCOO]- 395.98383 172.2
[M+CH3COO]- 409.99948 211.1
[M+Na-2H]- 371.96030 166.2
[M]+ 350.98508 170.6
[M]- 350.98618 170.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.