CID 167833

19700-58-4

Structural Information

Molecular Formula
C13H26NO5PS2
SMILES
CCOC(=O)[C@H](C(C)C)NC(=O)CSP(=S)(OCC)OCC
InChI
InChI=1S/C13H26NO5PS2/c1-6-17-13(16)12(10(4)5)14-11(15)9-22-20(21,18-7-2)19-8-3/h10,12H,6-9H2,1-5H3,(H,14,15)/t12-/m0/s1
InChIKey
OTIKYPMTUNVZLW-LBPRGKRZSA-N
Compound name
ethyl (2S)-2-[(2-diethoxyphosphinothioylsulfanylacetyl)amino]-3-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.099 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.10628 182.8
[M+Na]+ 394.08822 184.1
[M-H]- 370.09172 180.1
[M+NH4]+ 389.13282 195.1
[M+K]+ 410.06216 182.2
[M+H-H2O]+ 354.09626 173.1
[M+HCOO]- 416.09720 195.7
[M+CH3COO]- 430.11285 217.3
[M+Na-2H]- 392.07367 176.8
[M]+ 371.09845 191.1
[M]- 371.09955 191.1
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.