CID 102338

Bayer 47416

Structural Information

Molecular Formula
C7H15N2O5PS
SMILES
CNC(=O)C(C(=O)NC)SP(=O)(OC)OC
InChI
InChI=1S/C7H15N2O5PS/c1-8-6(10)5(7(11)9-2)16-15(12,13-3)14-4/h5H,1-4H3,(H,8,10)(H,9,11)
InChIKey
SDMYKERLCMBRTM-UHFFFAOYSA-N
Compound name
2-dimethoxyphosphorylsulfanyl-N,N'-dimethylpropanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.0439 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.05118 159.0
[M+Na]+ 293.03312 162.5
[M+NH4]+ 288.07772 162.5
[M+K]+ 309.00706 160.4
[M-H]- 269.03662 154.9
[M+Na-2H]- 291.01857 157.8
[M]+ 270.04335 158.0
[M]- 270.04445 158.0
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.