CID 4280150

1,3-diethyl-6-methyl-5-nitrouracil

Structural Information

Molecular Formula
C9H13N3O4
SMILES
CCN1C(=C(C(=O)N(C1=O)CC)[N+](=O)[O-])C
InChI
InChI=1S/C9H13N3O4/c1-4-10-6(3)7(12(15)16)8(13)11(5-2)9(10)14/h4-5H2,1-3H3
InChIKey
DQAWDNPKOKNXLO-UHFFFAOYSA-N
Compound name
1,3-diethyl-6-methyl-5-nitropyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

227.0906 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.097876 144.5
[M+Na]+ 250.079818 155.7
[M-H]- 226.083324 147.1
[M+NH4]+ 245.124423 160.3
[M+K]+ 266.053758 149.5
[M+H-H2O]+ 210.087860 142.3
[M+HCOO]- 272.088801 168.4
[M+CH3COO]- 286.104451 186.2
[M+Na-2H]- 248.065266 151.0
[M]+ 227.09005142 147.5
[M]- 227.09114858 147.5
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

patents stripe