CID 3088069

Barbituric acid, 5-ethyl-5-(1-pyrrolidinyl)-

Structural Information

Molecular Formula
C10H15N3O3
SMILES
CCC1(C(=O)NC(=O)NC1=O)N2CCCC2
InChI
InChI=1S/C10H15N3O3/c1-2-10(13-5-3-4-6-13)7(14)11-9(16)12-8(10)15/h2-6H2,1H3,(H2,11,12,14,15,16)
InChIKey
NCVXWYAQFKGZCW-UHFFFAOYSA-N
Compound name
5-ethyl-5-pyrrolidin-1-yl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.11134 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.11862 151.7
[M+Na]+ 248.10056 158.3
[M-H]- 224.10406 151.2
[M+NH4]+ 243.14516 167.9
[M+K]+ 264.07450 154.6
[M+H-H2O]+ 208.10860 144.4
[M+HCOO]- 270.10954 165.1
[M+CH3COO]- 284.12519 181.9
[M+Na-2H]- 246.08601 152.3
[M]+ 225.11079 144.5
[M]- 225.11189 144.5
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.