CID 11558181

1-(2,4-dinitrophenyl)pyrimidine-2,4-dione

Structural Information

Molecular Formula
C10H6N4O6
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N2C=CC(=O)NC2=O
InChI
InChI=1S/C10H6N4O6/c15-9-3-4-12(10(16)11-9)7-2-1-6(13(17)18)5-8(7)14(19)20/h1-5H,(H,11,15,16)
InChIKey
WYMRBAZBHOSFJX-UHFFFAOYSA-N
Compound name
1-(2,4-dinitrophenyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.02875 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.03603 154.5
[M+Na]+ 301.01797 162.0
[M-H]- 277.02147 158.5
[M+NH4]+ 296.06257 164.6
[M+K]+ 316.99191 150.3
[M+H-H2O]+ 261.02601 154.5
[M+HCOO]- 323.02695 177.7
[M+CH3COO]- 337.04260 183.6
[M+Na-2H]- 299.00342 164.8
[M]+ 278.02820 150.9
[M]- 278.02930 150.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.