CID 3021772

5-butyl-3-ethyl-6-methyluracil

Structural Information

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

1.8
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.

Patent stripe

No patent data available for this compound.