CID 3021849

5-butyl-3-methyl-6-propyluracil

Structural Information

Molecular Formula
C12H20N2O2
SMILES
CCCCC1=C(NC(=O)N(C1=O)C)CCC
InChI
InChI=1S/C12H20N2O2/c1-4-6-8-9-10(7-5-2)13-12(16)14(3)11(9)15/h4-8H2,1-3H3,(H,13,16)
InChIKey
CYGOIHRGFFGTMB-UHFFFAOYSA-N
Compound name
5-butyl-3-methyl-6-propyl-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.15248 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.159756 150.6
[M+Na]+ 247.141698 160.6
[M-H]- 223.145204 150.7
[M+NH4]+ 242.186303 166.6
[M+K]+ 263.115638 156.6
[M+H-H2O]+ 207.149740 143.6
[M+HCOO]- 269.150681 170.8
[M+CH3COO]- 283.166331 190.3
[M+Na-2H]- 245.127146 153.8
[M]+ 224.15193142 153.8
[M]- 224.15302858 153.8
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.