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

25
Patents

227.0906 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.09788 144.5
[M+Na]+ 250.07982 155.7
[M-H]- 226.08332 147.1
[M+NH4]+ 245.12442 160.3
[M+K]+ 266.05376 149.5
[M+H-H2O]+ 210.08786 142.3
[M+HCOO]- 272.08880 168.4
[M+CH3COO]- 286.10445 186.2
[M+Na-2H]- 248.06527 151.0
[M]+ 227.09005 147.5
[M]- 227.09115 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