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 146.0
[M+Na]+ 233.12605 156.5
[M-H]- 209.12955 146.3
[M+NH4]+ 228.17065 162.6
[M+K]+ 249.09999 152.7
[M+H-H2O]+ 193.13409 139.2
[M+HCOO]- 255.13503 166.5
[M+CH3COO]- 269.15068 187.3
[M+Na-2H]- 231.11150 149.8
[M]+ 210.13628 148.9
[M]- 210.13738 148.9
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.