CID 209296

19700-59-5

Structural Information

Molecular Formula
C14H28NO5PS2
SMILES
CCOC(=O)[C@H](CC(C)C)NC(=O)CSP(=S)(OCC)OCC
InChI
InChI=1S/C14H28NO5PS2/c1-6-18-14(17)12(9-11(4)5)15-13(16)10-23-21(22,19-7-2)20-8-3/h11-12H,6-10H2,1-5H3,(H,15,16)/t12-/m0/s1
InChIKey
XUHRQKPXQQCSSY-LBPRGKRZSA-N
Compound name
ethyl (2S)-2-[(2-diethoxyphosphinothioylsulfanylacetyl)amino]-4-methylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.11465 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.12193 187.1
[M+Na]+ 408.10387 188.0
[M-H]- 384.10737 184.2
[M+NH4]+ 403.14847 211.7
[M+K]+ 424.07781 185.9
[M+H-H2O]+ 368.11191 177.3
[M+HCOO]- 430.11285 199.7
[M+CH3COO]- 444.12850 220.1
[M+Na-2H]- 406.08932 180.7
[M]+ 385.11410 195.7
[M]- 385.11520 195.7
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.