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 187.8
[M+Na]+ 400.10830 203.2
[M-H]- 376.11180 192.2
[M+NH4]+ 395.15290 201.7
[M+K]+ 416.08224 190.1
[M+H-H2O]+ 360.11634 176.1
[M+HCOO]- 422.11728 217.6
[M+CH3COO]- 436.13293 219.1
[M+Na-2H]- 398.09375 186.9
[M]+ 377.11853 198.0
[M]- 377.11963 198.0
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.