CID 6507276

Phosphorothioic acid, o,o-diethyl o-(4-(1-((((ethylamino)carbonyl)oxy)imino)ethyl)phenyl) ester

Structural Information

Molecular Formula
C15H23N2O5PS
SMILES
CCNC(=O)O/N=C(/C)\C1=CC=C(C=C1)OP(=S)(OCC)OCC
InChI
InChI=1S/C15H23N2O5PS/c1-5-16-15(18)21-17-12(4)13-8-10-14(11-9-13)22-23(24,19-6-2)20-7-3/h8-11H,5-7H2,1-4H3,(H,16,18)/b17-12-
InChIKey
DONJBVYKWUFMTD-ATVHPVEESA-N
Compound name
[(Z)-1-(4-diethoxyphosphinothioyloxyphenyl)ethylideneamino] N-ethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.10654 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.11382 185.6
[M+Na]+ 397.09576 191.7
[M+NH4]+ 392.14036 189.5
[M+K]+ 413.06970 186.5
[M-H]- 373.09926 184.9
[M+Na-2H]- 395.08121 187.7
[M]+ 374.10599 186.1
[M]- 374.10709 186.1
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.