CID 5496382

Chembl3290402

Structural Information

Molecular Formula
C11H8N2O6
SMILES
C1=C(C=C(C(=C1O)O)O)C=C2C(=O)NC(=O)NC2=O
InChI
InChI=1S/C11H8N2O6/c14-6-2-4(3-7(15)8(6)16)1-5-9(17)12-11(19)13-10(5)18/h1-3,14-16H,(H2,12,13,17,18,19)
InChIKey
OWZNXHRLWKYIQT-UHFFFAOYSA-N
Compound name
5-[(3,4,5-trihydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

264.03824 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.04552 156.8
[M+Na]+ 287.02746 165.5
[M-H]- 263.03096 155.1
[M+NH4]+ 282.07206 167.4
[M+K]+ 303.00140 159.7
[M+H-H2O]+ 247.03550 150.0
[M+HCOO]- 309.03644 169.4
[M+CH3COO]- 323.05209 185.2
[M+Na-2H]- 285.01291 157.0
[M]+ 264.03769 150.7
[M]- 264.03879 150.7
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.