CID 3033291

Barbituric acid, 5-ethyl-5-isopropyl-1-methyl-2-thio-, sodium salt

Structural Information

Molecular Formula
C10H16N2O2S
SMILES
CCC1(C(=O)NC(=S)N(C1=O)C)C(C)C
InChI
InChI=1S/C10H16N2O2S/c1-5-10(6(2)3)7(13)11-9(15)12(4)8(10)14/h6H,5H2,1-4H3,(H,11,13,15)
InChIKey
RLVTYIDKMICCBU-UHFFFAOYSA-N
Compound name
5-ethyl-1-methyl-5-propan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.09325 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.100526 147.4
[M+Na]+ 251.082468 155.8
[M-H]- 227.085974 147.2
[M+NH4]+ 246.127073 165.3
[M+K]+ 267.056408 152.4
[M+H-H2O]+ 211.090510 142.5
[M+HCOO]- 273.091451 157.8
[M+CH3COO]- 287.107101 188.7
[M+Na-2H]- 249.067916 146.5
[M]+ 228.09270142 146.9
[M]- 228.09379858 146.9
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.