CID 9578521

Stauffer r 14789

Structural Information

Molecular Formula
C14H21N2O6PS
SMILES
CCOP(=S)(OCC)OC1=C(C=C(C=C1)/C=N/OC(=O)NC)OC
InChI
InChI=1S/C14H21N2O6PS/c1-5-19-23(24,20-6-2)22-12-8-7-11(9-13(12)18-4)10-16-21-14(17)15-3/h7-10H,5-6H2,1-4H3,(H,15,17)/b16-10+
InChIKey
QSIYRGASUIPZLG-MHWRWJLKSA-N
Compound name
[(E)-(4-diethoxyphosphinothioyloxy-3-methoxyphenyl)methylideneamino] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.0858 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.09308 182.0
[M+Na]+ 399.07502 186.8
[M-H]- 375.07852 185.4
[M+NH4]+ 394.11962 195.0
[M+K]+ 415.04896 186.1
[M+H-H2O]+ 359.08306 171.3
[M+HCOO]- 421.08400 207.7
[M+CH3COO]- 435.09965 221.0
[M+Na-2H]- 397.06047 182.2
[M]+ 376.08525 192.7
[M]- 376.08635 192.7
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.