CID 3021709

3,6-dimethyl-5-propyluracil

Structural Information

Molecular Formula
C9H14N2O2
SMILES
CCCC1=C(NC(=O)N(C1=O)C)C
InChI
InChI=1S/C9H14N2O2/c1-4-5-7-6(2)10-9(13)11(3)8(7)12/h4-5H2,1-3H3,(H,10,13)
InChIKey
JWHXRPRJUQVXHG-UHFFFAOYSA-N
Compound name
3,6-dimethyl-5-propyl-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.10553 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.11281 138.8
[M+Na]+ 205.09475 152.4
[M+NH4]+ 200.13935 145.3
[M+K]+ 221.06869 146.7
[M-H]- 181.09825 138.7
[M+Na-2H]- 203.08020 143.9
[M]+ 182.10498 140.5
[M]- 182.10608 140.5
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.