CID 6507274

O-(4-(1-(((aminocarbonyl)oxy)imino)ethyl)phenyl) o,o-diethyl phosphorothioate

Structural Information

Molecular Formula
C13H19N2O5PS
SMILES
CCOP(=S)(OCC)OC1=CC=C(C=C1)/C(=N\OC(=O)N)/C
InChI
InChI=1S/C13H19N2O5PS/c1-4-17-21(22,18-5-2)20-12-8-6-11(7-9-12)10(3)15-19-13(14)16/h6-9H,4-5H2,1-3H3,(H2,14,16)/b15-10-
InChIKey
YRBKMZPLOUIKJE-GDNBJRDFSA-N
Compound name
[(Z)-1-(4-diethoxyphosphinothioyloxyphenyl)ethylideneamino] carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.07523 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.08251 177.1
[M+Na]+ 369.06445 183.3
[M+NH4]+ 364.10905 181.2
[M+K]+ 385.03839 178.8
[M-H]- 345.06795 176.4
[M+Na-2H]- 367.04990 179.2
[M]+ 346.07468 177.7
[M]- 346.07578 177.7
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.