CID 11701526

5-methyl-1-(4-nitrophenyl)pyrimidine-2,4-dione

Structural Information

Molecular Formula
C11H9N3O4
SMILES
CC1=CN(C(=O)NC1=O)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C11H9N3O4/c1-7-6-13(11(16)12-10(7)15)8-2-4-9(5-3-8)14(17)18/h2-6H,1H3,(H,12,15,16)
InChIKey
NVZCSEXSUNLZEB-UHFFFAOYSA-N
Compound name
5-methyl-1-(4-nitrophenyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

247.05931 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.06659 149.2
[M+Na]+ 270.04853 159.0
[M-H]- 246.05203 153.3
[M+NH4]+ 265.09313 162.4
[M+K]+ 286.02247 150.7
[M+H-H2O]+ 230.05657 145.4
[M+HCOO]- 292.05751 172.2
[M+CH3COO]- 306.07316 184.2
[M+Na-2H]- 268.03398 157.2
[M]+ 247.05876 147.9
[M]- 247.05986 147.9
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