CID 208584

Hercules 6937

Structural Information

Molecular Formula
C11H19N2O2PS3
SMILES
CCOP(=S)(OCC)SC1=NC(=NC(=C1)C)SCC
InChI
InChI=1S/C11H19N2O2PS3/c1-5-14-16(17,15-6-2)19-10-8-9(4)12-11(13-10)18-7-3/h8H,5-7H2,1-4H3
InChIKey
FVPNVAADTBJDIX-UHFFFAOYSA-N
Compound name
diethoxy-(2-ethylsulfanyl-6-methylpyrimidin-4-yl)sulfanyl-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.03464 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.04192 164.6
[M+Na]+ 361.02386 171.9
[M-H]- 337.02736 163.4
[M+NH4]+ 356.06846 177.0
[M+K]+ 376.99780 165.5
[M+H-H2O]+ 321.03190 154.6
[M+HCOO]- 383.03284 174.3
[M+CH3COO]- 397.04849 208.6
[M+Na-2H]- 359.00931 161.7
[M]+ 338.03409 170.2
[M]- 338.03519 170.2
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.