CID 367145

Nsc636604

Structural Information

Molecular Formula
C12H10N2O4
SMILES
COC1=CC=CC=C1C=C2C(=O)NC(=O)NC2=O
InChI
InChI=1S/C12H10N2O4/c1-18-9-5-3-2-4-7(9)6-8-10(15)13-12(17)14-11(8)16/h2-6H,1H3,(H2,13,14,15,16,17)
InChIKey
AYVCVCZXKMIXRW-UHFFFAOYSA-N
Compound name
5-[(2-methoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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

No literature data available for this compound.

Patent stripe

patents stripe