CID 135544683

5-[(pyridin-2-ylamino)methylidene]pyrimidine-2,4,6(1h,3h,5h)-trione

Structural Information

Molecular Formula
C10H8N4O3
SMILES
C1=CC=NC(=C1)/N=C/C2=C(NC(=O)NC2=O)O
InChI
InChI=1S/C10H8N4O3/c15-8-6(9(16)14-10(17)13-8)5-12-7-3-1-2-4-11-7/h1-5H,(H3,13,14,15,16,17)/b12-5+
InChIKey
FPNUBNCFIRKYMG-LFYBBSHMSA-N
Compound name
6-hydroxy-5-[(E)-pyridin-2-yliminomethyl]-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.05965 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.06693 148.6
[M+Na]+ 255.04887 162.0
[M+NH4]+ 250.09347 153.5
[M+K]+ 271.02281 157.0
[M-H]- 231.05237 149.4
[M+Na-2H]- 253.03432 155.9
[M]+ 232.05910 150.3
[M]- 232.06020 150.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.