CID 9578524

3-(o-(o,o-diethylphosphorothioyl))benzaldoximino-n-methylcarbamate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.07523 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.08251 175.7
[M+Na]+ 369.06445 180.5
[M-H]- 345.06795 179.0
[M+NH4]+ 364.10905 189.8
[M+K]+ 385.03839 179.2
[M+H-H2O]+ 329.07249 165.2
[M+HCOO]- 391.07343 201.6
[M+CH3COO]- 405.08908 214.5
[M+Na-2H]- 367.04990 176.5
[M]+ 346.07468 184.3
[M]- 346.07578 184.3
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.