CID 9578528

Stauffer r 14487

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.07523 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.08251 177.6
[M+Na]+ 369.06445 184.5
[M+NH4]+ 364.10905 182.0
[M+K]+ 385.03839 178.9
[M-H]- 345.06795 177.3
[M+Na-2H]- 367.04990 180.5
[M]+ 346.07468 178.4
[M]- 346.07578 178.4
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.