CID 3051181

67293-72-5

Structural Information

Molecular Formula
C11H28N2O4P2S
SMILES
CCN(CC)P(=O)(OC)SP(=O)(N(CC)CC)OCC
InChI
InChI=1S/C11H28N2O4P2S/c1-7-12(8-2)18(14,16-6)20-19(15,17-11-5)13(9-3)10-4/h7-11H2,1-6H3
InChIKey
LMRVNUHPUKKRHS-UHFFFAOYSA-N
Compound name
N-[[diethylamino(ethoxy)phosphoryl]sulfanyl-methoxyphosphoryl]-N-ethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.1245 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.13178 180.2
[M+Na]+ 369.11372 183.3
[M-H]- 345.11722 180.3
[M+NH4]+ 364.15832 205.8
[M+K]+ 385.08766 184.7
[M+H-H2O]+ 329.12176 168.4
[M+HCOO]- 391.12270 213.5
[M+CH3COO]- 405.13835 223.6
[M+Na-2H]- 367.09917 178.1
[M]+ 346.12395 191.9
[M]- 346.12505 191.9
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.