CID 5285333

40367-32-6

Structural Information

Molecular Formula
C12H10N2O5
SMILES
COC1=C(C=CC(=C1)C=C2C(=O)NC(=O)NC2=O)O
InChI
InChI=1S/C12H10N2O5/c1-19-9-5-6(2-3-8(9)15)4-7-10(16)13-12(18)14-11(7)17/h2-5,15H,1H3,(H2,13,14,16,17,18)
InChIKey
HOHGWOUABYDGBN-UHFFFAOYSA-N
Compound name
5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

22
Patents

262.05896 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.06624 158.3
[M+Na]+ 285.04818 169.4
[M+NH4]+ 280.09278 162.3
[M+K]+ 301.02212 165.5
[M-H]- 261.05168 157.4
[M+Na-2H]- 283.03363 161.1
[M]+ 262.05841 159.0
[M]- 262.05951 159.0
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

patents stripe