CID 48744

5-ethyl-5-(ethylthiomethyl)-1-methylbarbituric acid sodium salt

Structural Information

Molecular Formula
C10H16N2O3S
SMILES
CCC1(C(=O)NC(=O)N(C1=O)C)CSCC
InChI
InChI=1S/C10H16N2O3S/c1-4-10(6-16-5-2)7(13)11-9(15)12(3)8(10)14/h4-6H2,1-3H3,(H,11,13,15)
InChIKey
ATBAPAFQUFTQCB-UHFFFAOYSA-N
Compound name
5-ethyl-5-(ethylsulfanylmethyl)-1-methyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.08817 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.09545 157.2
[M+Na]+ 267.07739 166.7
[M+NH4]+ 262.12199 164.1
[M+K]+ 283.05133 158.2
[M-H]- 243.08089 155.7
[M+Na-2H]- 265.06284 159.6
[M]+ 244.08762 158.4
[M]- 244.08872 158.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.