CID 2803048

258347-77-2

Structural Information

Molecular Formula
C13H12N2O4
SMILES
CCOC1=CC=C(C=C1)C=C2C(=O)NC(=O)NC2=O
InChI
InChI=1S/C13H12N2O4/c1-2-19-9-5-3-8(4-6-9)7-10-11(16)14-13(18)15-12(10)17/h3-7H,2H2,1H3,(H2,14,15,16,17,18)
InChIKey
CUPNAIUIJDQPFZ-UHFFFAOYSA-N
Compound name
5-[(4-ethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

260.0797 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.08698 157.8
[M+Na]+ 283.06892 165.5
[M-H]- 259.07242 159.1
[M+NH4]+ 278.11352 170.4
[M+K]+ 299.04286 160.3
[M+H-H2O]+ 243.07696 149.7
[M+HCOO]- 305.07790 174.0
[M+CH3COO]- 319.09355 189.9
[M+Na-2H]- 281.05437 159.7
[M]+ 260.07915 154.0
[M]- 260.08025 154.0
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

patents stripe