CID 474187

Chembl37979

Structural Information

Molecular Formula
C18H16N2O4
SMILES
C1=CC=C(C=C1)COC2=CC=C(C=C2)CC3C(=O)NC(=O)NC3=O
InChI
InChI=1S/C18H16N2O4/c21-16-15(17(22)20-18(23)19-16)10-12-6-8-14(9-7-12)24-11-13-4-2-1-3-5-13/h1-9,15H,10-11H2,(H2,19,20,21,22,23)
InChIKey
VCKAXUDGJJEUGV-UHFFFAOYSA-N
Compound name
5-[(4-phenylmethoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

324.111 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.118276 175.6
[M+Na]+ 347.100218 181.8
[M-H]- 323.103724 179.5
[M+NH4]+ 342.144823 184.8
[M+K]+ 363.074158 175.5
[M+H-H2O]+ 307.108260 165.3
[M+HCOO]- 369.109201 191.1
[M+CH3COO]- 383.124851 202.6
[M+Na-2H]- 345.085666 177.3
[M]+ 324.11045142 171.5
[M]- 324.11154858 171.5
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

No patent data available for this compound.