CID 389357

Nsc685361

Structural Information

Molecular Formula
C13H14N2O5
SMILES
COC1=C(C=C(C=C1)CC2C(=O)NC(=O)NC2=O)OC
InChI
InChI=1S/C13H14N2O5/c1-19-9-4-3-7(6-10(9)20-2)5-8-11(16)14-13(18)15-12(8)17/h3-4,6,8H,5H2,1-2H3,(H2,14,15,16,17,18)
InChIKey
JRFQBCPZBQLZJO-UHFFFAOYSA-N
Compound name
5-[(3,4-dimethoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

278.09027 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.09755 161.1
[M+Na]+ 301.07949 169.2
[M-H]- 277.08299 162.7
[M+NH4]+ 296.12409 173.2
[M+K]+ 317.05343 165.3
[M+H-H2O]+ 261.08753 153.0
[M+HCOO]- 323.08847 177.3
[M+CH3COO]- 337.10412 194.9
[M+Na-2H]- 299.06494 162.5
[M]+ 278.08972 160.0
[M]- 278.09082 160.0
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