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]+ 226.118616 151.7
[M+Na]+ 248.100558 158.3
[M-H]- 224.104064 151.2
[M+NH4]+ 243.145163 167.9
[M+K]+ 264.074498 154.6
[M+H-H2O]+ 208.108600 144.4
[M+HCOO]- 270.109541 165.1
[M+CH3COO]- 284.125191 181.9
[M+Na-2H]- 246.086006 152.3
[M]+ 225.11079142 144.5
[M]- 225.11188858 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.