CID 90128

23497-22-5

Structural Information

Molecular Formula
C12H29NO6P2S
SMILES
CCCOP(=O)(OCCC)SCCNP(=O)(OCC)OCC
InChI
InChI=1S/C12H29NO6P2S/c1-5-10-18-21(15,19-11-6-2)22-12-9-13-20(14,16-7-3)17-8-4/h5-12H2,1-4H3,(H,13,14)
InChIKey
PZCWOKOUJRPOLR-UHFFFAOYSA-N
Compound name
N-diethoxyphosphoryl-2-dipropoxyphosphorylsulfanylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.11908 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.12636 185.9
[M+Na]+ 400.10830 189.0
[M+NH4]+ 395.15290 208.2
[M+K]+ 416.08224 185.0
[M-H]- 376.11180 180.7
[M+Na-2H]- 398.09375 183.7
[M]+ 377.11853 184.6
[M]- 377.11963 184.6
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.