CID 3021920

3,5-dibutyl-6-methyluracil

Structural Information

Molecular Formula
C13H22N2O2
SMILES
CCCCC1=C(NC(=O)N(C1=O)CCCC)C
InChI
InChI=1S/C13H22N2O2/c1-4-6-8-11-10(3)14-13(17)15(12(11)16)9-7-5-2/h4-9H2,1-3H3,(H,14,17)
InChIKey
LTWFGDJPJOTHQE-UHFFFAOYSA-N
Compound name
3,5-dibutyl-6-methyl-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.16812 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.17540 156.7
[M+Na]+ 261.15734 169.4
[M+NH4]+ 256.20194 162.5
[M+K]+ 277.13128 162.8
[M-H]- 237.16084 156.4
[M+Na-2H]- 259.14279 160.7
[M]+ 238.16757 158.2
[M]- 238.16867 158.2
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.