CID 5497727

Chembl1762118

Structural Information

Molecular Formula
C11H8N2O5
SMILES
C1=CC(=C(C=C1O)O)C=C2C(=O)NC(=O)NC2=O
InChI
InChI=1S/C11H8N2O5/c14-6-2-1-5(8(15)4-6)3-7-9(16)12-11(18)13-10(7)17/h1-4,14-15H,(H2,12,13,16,17,18)
InChIKey
XGRANFKYXNDTDO-UHFFFAOYSA-N
Compound name
5-[(2,4-dihydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

19
Patents

248.04332 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.050596 153.4
[M+Na]+ 271.032538 161.9
[M-H]- 247.036044 152.7
[M+NH4]+ 266.077143 165.3
[M+K]+ 287.006478 156.1
[M+H-H2O]+ 231.040580 146.3
[M+HCOO]- 293.041521 167.4
[M+CH3COO]- 307.057171 183.2
[M+Na-2H]- 269.017986 154.7
[M]+ 248.04277142 147.2
[M]- 248.04386858 147.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.