CID 367146

Nsc636606

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
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 153.4
[M+Na]+ 269.05328 161.6
[M-H]- 245.05678 154.9
[M+NH4]+ 264.09788 166.6
[M+K]+ 285.02722 156.5
[M+H-H2O]+ 229.06132 145.5
[M+HCOO]- 291.06226 170.0
[M+CH3COO]- 305.07791 186.9
[M+Na-2H]- 267.03873 155.8
[M]+ 246.06351 149.2
[M]- 246.06461 149.2
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