CID 48572

Barbituric acid, 5-(allylthiomethyl)-5-ethyl-, sodium salt

Structural Information

Molecular Formula
C10H14N2O3S
SMILES
CCC1(C(=O)NC(=O)NC1=O)CSCC=C
InChI
InChI=1S/C10H14N2O3S/c1-3-5-16-6-10(4-2)7(13)11-9(15)12-8(10)14/h3H,1,4-6H2,2H3,(H2,11,12,13,14,15)
InChIKey
RZQIQKCJXWIXCQ-UHFFFAOYSA-N
Compound name
5-ethyl-5-(prop-2-enylsulfanylmethyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.07251 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.07979 156.7
[M+Na]+ 265.06173 165.3
[M+NH4]+ 260.10633 162.9
[M+K]+ 281.03567 156.8
[M-H]- 241.06523 154.3
[M+Na-2H]- 263.04718 158.6
[M]+ 242.07196 157.3
[M]- 242.07306 157.3
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.