CID 3064854

105891-91-6

Structural Information

Molecular Formula
C10H16N2O2S
SMILES
CCC1(C(=NC(=O)N(C1=O)C)SC)CC
InChI
InChI=1S/C10H16N2O2S/c1-5-10(6-2)7(15-4)11-9(14)12(3)8(10)13/h5-6H2,1-4H3
InChIKey
SKARVIMMOQUSHS-UHFFFAOYSA-N
Compound name
5,5-diethyl-3-methyl-6-methylsulfanylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.09325 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.10053 146.5
[M+Na]+ 251.08247 156.5
[M-H]- 227.08597 148.1
[M+NH4]+ 246.12707 165.5
[M+K]+ 267.05641 153.9
[M+H-H2O]+ 211.09051 141.0
[M+HCOO]- 273.09145 160.8
[M+CH3COO]- 287.10710 190.1
[M+Na-2H]- 249.06792 148.0
[M]+ 228.09270 150.5
[M]- 228.09380 150.5
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.