CID 100782

5-pyrimidinecarboxamide, hexahydro-2,4,6-trioxo-n-phenyl-

Structural Information

Molecular Formula
C11H9N3O4
SMILES
C1=CC=C(C=C1)NC(=O)C2=C(NC(=O)NC2=O)O
InChI
InChI=1S/C11H9N3O4/c15-8(12-6-4-2-1-3-5-6)7-9(16)13-11(18)14-10(7)17/h1-5H,(H,12,15)(H3,13,14,16,17,18)
InChIKey
VKWYRWQIBQMDFJ-UHFFFAOYSA-N
Compound name
6-hydroxy-2,4-dioxo-N-phenyl-1H-pyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

42
Patents

247.05931 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.06659 152.0
[M+Na]+ 270.04853 164.1
[M+NH4]+ 265.09313 156.5
[M+K]+ 286.02247 160.2
[M-H]- 246.05203 152.4
[M+Na-2H]- 268.03398 158.1
[M]+ 247.05876 153.3
[M]- 247.05986 153.3
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

patents stripe