CID 24190

5-(2,3-dimethyl-2-hydroxybutyl)-5-ethylbarbituric acid

Structural Information

Molecular Formula
C12H20N2O4
SMILES
CCC1(C(=O)NC(=O)NC1=O)CC(C)(C(C)C)O
InChI
InChI=1S/C12H20N2O4/c1-5-12(6-11(4,18)7(2)3)8(15)13-10(17)14-9(12)16/h7,18H,5-6H2,1-4H3,(H2,13,14,15,16,17)
InChIKey
FKFQTWRRMFBKDP-UHFFFAOYSA-N
Compound name
5-ethyl-5-(2-hydroxy-2,3-dimethylbutyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.1423 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.14958 159.6
[M+Na]+ 279.13152 166.7
[M+NH4]+ 274.17612 164.2
[M+K]+ 295.10546 163.0
[M-H]- 255.13502 155.4
[M+Na-2H]- 277.11697 160.6
[M]+ 256.14175 159.0
[M]- 256.14285 159.0
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.