CID 22079

Pirazinon

Structural Information

Molecular Formula
C12H21N2O3PS
SMILES
CCCC1=CC(=NC(=N1)C)OP(=S)(OCC)OCC
InChI
InChI=1S/C12H21N2O3PS/c1-5-8-11-9-12(14-10(4)13-11)17-18(19,15-6-2)16-7-3/h9H,5-8H2,1-4H3
InChIKey
AOIYMCGAKDGVHS-UHFFFAOYSA-N
Compound name
diethoxy-(2-methyl-6-propylpyrimidin-4-yl)oxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.10104 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.10832 169.8
[M+Na]+ 327.09026 180.2
[M+NH4]+ 322.13486 175.3
[M+K]+ 343.06420 173.1
[M-H]- 303.09376 168.8
[M+Na-2H]- 325.07571 173.0
[M]+ 304.10049 171.3
[M]- 304.10159 171.3
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.