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]+ 225.15976 150.6
[M+Na]+ 247.14170 160.6
[M-H]- 223.14520 150.7
[M+NH4]+ 242.18630 166.6
[M+K]+ 263.11564 156.6
[M+H-H2O]+ 207.14974 143.6
[M+HCOO]- 269.15068 170.8
[M+CH3COO]- 283.16633 190.3
[M+Na-2H]- 245.12715 153.8
[M]+ 224.15193 153.8
[M]- 224.15303 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.