CID 49284

Sodium 5-(ethylthiomethyl)-5-(2-methylallyl)barbiturate

Structural Information

Molecular Formula
C11H16N2O3S
SMILES
CCSCC1(C(=O)NC(=O)NC1=O)CC(=C)C
InChI
InChI=1S/C11H16N2O3S/c1-4-17-6-11(5-7(2)3)8(14)12-10(16)13-9(11)15/h2,4-6H2,1,3H3,(H2,12,13,14,15,16)
InChIKey
JEODPNCTHPUZMA-UHFFFAOYSA-N
Compound name
5-(ethylsulfanylmethyl)-5-(2-methylprop-2-enyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.08817 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.09545 160.6
[M+Na]+ 279.07739 168.6
[M+NH4]+ 274.12199 166.5
[M+K]+ 295.05133 160.7
[M-H]- 255.08089 158.0
[M+Na-2H]- 277.06284 161.9
[M]+ 256.08762 161.0
[M]- 256.08872 161.0
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.