CID 370318

Nsc643176

Structural Information

Molecular Formula
C14H14N2O6
SMILES
COC1=CC(=CC(=C1OC)OC)C=C2C(=O)NC(=O)NC2=O
InChI
InChI=1S/C14H14N2O6/c1-20-9-5-7(6-10(21-2)11(9)22-3)4-8-12(17)15-14(19)16-13(8)18/h4-6H,1-3H3,(H2,15,16,17,18,19)
InChIKey
NILAHWJMFWKLKH-UHFFFAOYSA-N
Compound name
5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

13
Patents

306.08517 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.09245 166.7
[M+Na]+ 329.07439 175.3
[M-H]- 305.07789 168.6
[M+NH4]+ 324.11899 177.8
[M+K]+ 345.04833 171.4
[M+H-H2O]+ 289.08243 158.5
[M+HCOO]- 351.08337 182.9
[M+CH3COO]- 365.09902 200.3
[M+Na-2H]- 327.05984 167.1
[M]+ 306.08462 167.0
[M]- 306.08572 167.0
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

No patent data available for this compound.