CID 3021773

5-butyl-6-ethyl-3-methyluracil

Structural Information

Molecular Formula
C11H18N2O2
SMILES
CCCCC1=C(NC(=O)N(C1=O)C)CC
InChI
InChI=1S/C11H18N2O2/c1-4-6-7-8-9(5-2)12-11(15)13(3)10(8)14/h4-7H2,1-3H3,(H,12,15)
InChIKey
UFUBUFQCWRNFNY-UHFFFAOYSA-N
Compound name
5-butyl-6-ethyl-3-methyl-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.13683 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.14411 147.8
[M+Na]+ 233.12605 160.9
[M+NH4]+ 228.17065 153.9
[M+K]+ 249.09999 154.8
[M-H]- 209.12955 147.5
[M+Na-2H]- 231.11150 152.3
[M]+ 210.13628 149.4
[M]- 210.13738 149.4
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.