CID 6436789

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

Structural Information

Molecular Formula
C10H14N2O3
SMILES
CCC1(C(=O)NC(=O)NC1=O)/C(=C\C)/C
InChI
InChI=1S/C10H14N2O3/c1-4-6(3)10(5-2)7(13)11-9(15)12-8(10)14/h4H,5H2,1-3H3,(H2,11,12,13,14,15)/b6-4-
InChIKey
BNEFYUSURPWDHG-XQRVVYSFSA-N
Compound name
5-[(Z)-but-2-en-2-yl]-5-ethyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.10045 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.107726 145.9
[M+Na]+ 233.089668 153.6
[M-H]- 209.093174 144.0
[M+NH4]+ 228.134273 162.9
[M+K]+ 249.063608 150.1
[M+H-H2O]+ 193.097710 140.6
[M+HCOO]- 255.098651 160.6
[M+CH3COO]- 269.114301 181.9
[M+Na-2H]- 231.075116 147.8
[M]+ 210.09990142 141.5
[M]- 210.10099858 141.5
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.