CID 49290

5-hexyl-5-methylbarbituric acid

Structural Information

Molecular Formula
C11H18N2O3
SMILES
CCCCCCC1(C(=O)NC(=O)NC1=O)C
InChI
InChI=1S/C11H18N2O3/c1-3-4-5-6-7-11(2)8(14)12-10(16)13-9(11)15/h3-7H2,1-2H3,(H2,12,13,14,15,16)
InChIKey
BBSDVVRSFGDPJH-UHFFFAOYSA-N
Compound name
5-hexyl-5-methyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.13174 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.13902 153.9
[M+Na]+ 249.12096 163.1
[M+NH4]+ 244.16556 160.1
[M+K]+ 265.09490 156.4
[M-H]- 225.12446 151.7
[M+Na-2H]- 247.10641 156.4
[M]+ 226.13119 154.2
[M]- 226.13229 154.2
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.