CID 102339

Bayer 47185

Structural Information

Molecular Formula
C9H19N2O4PS2
SMILES
CCNC(=O)C(C(=O)NCC)SP(=S)(OC)OC
InChI
InChI=1S/C9H19N2O4PS2/c1-5-10-8(12)7(9(13)11-6-2)18-16(17,14-3)15-4/h7H,5-6H2,1-4H3,(H,10,12)(H,11,13)
InChIKey
YUGAHGZEFZNBOZ-UHFFFAOYSA-N
Compound name
2-dimethoxyphosphinothioylsulfanyl-N,N'-diethylpropanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.0524 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.05968 166.2
[M+Na]+ 337.04162 168.7
[M-H]- 313.04512 164.0
[M+NH4]+ 332.08622 180.5
[M+K]+ 353.01556 166.4
[M+H-H2O]+ 297.04966 156.6
[M+HCOO]- 359.05060 181.9
[M+CH3COO]- 373.06625 207.8
[M+Na-2H]- 335.02707 162.8
[M]+ 314.05185 171.2
[M]- 314.05295 171.2
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.