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 147.9
[M+Na]+ 254.05361 157.6
[M-H]- 230.05711 150.2
[M+NH4]+ 249.09821 161.5
[M+K]+ 270.02755 151.9
[M+H-H2O]+ 214.06165 139.7
[M+HCOO]- 276.06259 169.8
[M+CH3COO]- 290.07824 185.4
[M+Na-2H]- 252.03906 154.9
[M]+ 231.06384 145.7
[M]- 231.06494 145.7
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.