CID 215551

Brn 2282155

Structural Information

Molecular Formula
C12H26NO4PS
SMILES
CCCN(CCC)C(=O)CSP(=O)(OCC)OCC
InChI
InChI=1S/C12H26NO4PS/c1-5-9-13(10-6-2)12(14)11-19-18(15,16-7-3)17-8-4/h5-11H2,1-4H3
InChIKey
GQRHWKXYHINFOF-UHFFFAOYSA-N
Compound name
2-diethoxyphosphorylsulfanyl-N,N-dipropylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.13202 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.13930 174.4
[M+Na]+ 334.12124 178.1
[M-H]- 310.12474 174.0
[M+NH4]+ 329.16584 190.5
[M+K]+ 350.09518 177.9
[M+H-H2O]+ 294.12928 165.3
[M+HCOO]- 356.13022 196.6
[M+CH3COO]- 370.14587 210.8
[M+Na-2H]- 332.10669 171.7
[M]+ 311.13147 184.9
[M]- 311.13257 184.9
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.