CID 52200

Sodium 5-ethyl-5-(isopropylthiomethyl)barbiturate

Structural Information

Molecular Formula
C10H16N2O3S
SMILES
CCC1(C(=O)NC(=O)NC1=O)CSC(C)C
InChI
InChI=1S/C10H16N2O3S/c1-4-10(5-16-6(2)3)7(13)11-9(15)12-8(10)14/h6H,4-5H2,1-3H3,(H2,11,12,13,14,15)
InChIKey
ONMBCIPIMYXKJP-UHFFFAOYSA-N
Compound name
5-ethyl-5-(propan-2-ylsulfanylmethyl)-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

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.09545 156.8
[M+Na]+ 267.07739 165.1
[M+NH4]+ 262.12199 163.3
[M+K]+ 283.05133 157.5
[M-H]- 243.08089 154.5
[M+Na-2H]- 265.06284 158.6
[M]+ 244.08762 157.5
[M]- 244.08872 157.5
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.