CID 6446699

N-(2-(dichlorophosphonyl)vinyl)-n'-(5-methoxy-2-pyrazinyl)urea

Structural Information

Molecular Formula
C8H9Cl2N4O3P
SMILES
COC1=NC=C(N=C1)NC(=O)N/C=C/P(=O)(Cl)Cl
InChI
InChI=1S/C8H9Cl2N4O3P/c1-17-7-5-12-6(4-13-7)14-8(15)11-2-3-18(9,10)16/h2-5H,1H3,(H2,11,12,14,15)/b3-2+
InChIKey
LSJISLGCHMVPAL-NSCUHMNNSA-N
Compound name
1-[(E)-2-dichlorophosphorylethenyl]-3-(5-methoxypyrazin-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.97894 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.98622 161.9
[M+Na]+ 332.96816 171.8
[M+NH4]+ 328.01276 166.4
[M+K]+ 348.94210 167.5
[M-H]- 308.97166 160.4
[M+Na-2H]- 330.95361 166.0
[M]+ 309.97839 162.9
[M]- 309.97949 162.9
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.