CID 39492

49546-71-6

Structural Information

Molecular Formula
C12H10N2O4
SMILES
COC1=CC=C(C=C1)C=C2C(=O)NC(=O)NC2=O
InChI
InChI=1S/C12H10N2O4/c1-18-8-4-2-7(3-5-8)6-9-10(15)13-12(17)14-11(9)16/h2-6H,1H3,(H2,13,14,15,16,17)
InChIKey
IWKTUKNFSHWMNP-UHFFFAOYSA-N
Compound name
5-[(4-methoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

37
Patents

246.06406 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.07134 154.9
[M+Na]+ 269.05328 166.7
[M+NH4]+ 264.09788 159.9
[M+K]+ 285.02722 161.7
[M-H]- 245.05678 155.0
[M+Na-2H]- 267.03873 159.0
[M]+ 246.06351 156.1
[M]- 246.06461 156.1
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