CID 48453

1,3-dimethyl-5-isopentylbarbituric acid

Structural Information

Molecular Formula
C11H18N2O3
SMILES
CC(C)CCC1C(=O)N(C(=O)N(C1=O)C)C
InChI
InChI=1S/C11H18N2O3/c1-7(2)5-6-8-9(14)12(3)11(16)13(4)10(8)15/h7-8H,5-6H2,1-4H3
InChIKey
UXTWCUZROXOWIR-UHFFFAOYSA-N
Compound name
1,3-dimethyl-5-(3-methylbutyl)-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

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.13902 152.9
[M+Na]+ 249.12096 163.4
[M+NH4]+ 244.16556 158.2
[M+K]+ 265.09490 159.0
[M-H]- 225.12446 151.7
[M+Na-2H]- 247.10641 154.2
[M]+ 226.13119 153.6
[M]- 226.13229 153.6
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.

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No patent data available for this compound.