CID 117539

25537-46-6

Structural Information

Molecular Formula
C11H19N2O3PS
SMILES
CCOP(=O)(CC)OC1=NC(=NC(=C1)C)SCC
InChI
InChI=1S/C11H19N2O3PS/c1-5-15-17(14,6-2)16-10-8-9(4)12-11(13-10)18-7-3/h8H,5-7H2,1-4H3
InChIKey
VILCCVHHUUHGNG-UHFFFAOYSA-N
Compound name
4-[ethoxy(ethyl)phosphoryl]oxy-2-ethylsulfanyl-6-methylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.0854 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.09268 164.4
[M+Na]+ 313.07462 172.3
[M-H]- 289.07812 164.4
[M+NH4]+ 308.11922 178.8
[M+K]+ 329.04856 170.1
[M+H-H2O]+ 273.08266 154.4
[M+HCOO]- 335.08360 185.2
[M+CH3COO]- 349.09925 201.3
[M+Na-2H]- 311.06007 164.2
[M]+ 290.08485 172.8
[M]- 290.08595 172.8
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.