CID 197982

19476-81-4

Structural Information

Molecular Formula
C11H22NO5PS2
SMILES
CCOC(=O)CCNC(=O)CSP(=S)(OCC)OCC
InChI
InChI=1S/C11H22NO5PS2/c1-4-15-11(14)7-8-12-10(13)9-20-18(19,16-5-2)17-6-3/h4-9H2,1-3H3,(H,12,13)
InChIKey
LZSNQFIVLHUVDL-UHFFFAOYSA-N
Compound name
ethyl 3-[(2-diethoxyphosphinothioylsulfanylacetyl)amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.0677 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.07498 174.4
[M+Na]+ 366.05692 177.2
[M-H]- 342.06042 172.0
[M+NH4]+ 361.10152 188.1
[M+K]+ 382.03086 174.6
[M+H-H2O]+ 326.06496 164.8
[M+HCOO]- 388.06590 190.1
[M+CH3COO]- 402.08155 209.9
[M+Na-2H]- 364.04237 170.9
[M]+ 343.06715 183.1
[M]- 343.06825 183.1
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.