CID 216828

Brn 2282156

Structural Information

Molecular Formula
C12H26NO3PS2
SMILES
CCCN(CCC)C(=O)CSP(=S)(OCC)OCC
InChI
InChI=1S/C12H26NO3PS2/c1-5-9-13(10-6-2)12(14)11-19-17(18,15-7-3)16-8-4/h5-11H2,1-4H3
InChIKey
GMSYPEMNQYZMHO-UHFFFAOYSA-N
Compound name
2-diethoxyphosphinothioylsulfanyl-N,N-dipropylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.10916 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.11644 174.0
[M+Na]+ 350.09838 177.1
[M-H]- 326.10188 173.0
[M+NH4]+ 345.14298 189.3
[M+K]+ 366.07232 174.7
[M+H-H2O]+ 310.10642 164.2
[M+HCOO]- 372.10736 190.1
[M+CH3COO]- 386.12301 213.0
[M+Na-2H]- 348.08383 169.5
[M]+ 327.10861 183.0
[M]- 327.10971 183.0
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.