CID 2250488

5-(anilinomethylene)barbituric acid

Structural Information

Molecular Formula
C11H9N3O3
SMILES
C1=CC=C(C=C1)N=CC2=C(NC(=O)NC2=O)O
InChI
InChI=1S/C11H9N3O3/c15-9-8(10(16)14-11(17)13-9)6-12-7-4-2-1-3-5-7/h1-6H,(H3,13,14,15,16,17)
InChIKey
RGZQAPKBXANFKH-UHFFFAOYSA-N
Compound name
6-hydroxy-5-(phenyliminomethyl)-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

231.06439 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.07167 148.8
[M+Na]+ 254.05361 162.2
[M+NH4]+ 249.09821 154.4
[M+K]+ 270.02755 156.6
[M-H]- 230.05711 150.3
[M+Na-2H]- 252.03906 156.3
[M]+ 231.06384 150.8
[M]- 231.06494 150.8
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.