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]+ 325.11828 175.6
[M+Na]+ 347.10022 181.8
[M-H]- 323.10372 179.5
[M+NH4]+ 342.14482 184.8
[M+K]+ 363.07416 175.5
[M+H-H2O]+ 307.10826 165.3
[M+HCOO]- 369.10920 191.1
[M+CH3COO]- 383.12485 202.6
[M+Na-2H]- 345.08567 177.3
[M]+ 324.11045 171.5
[M]- 324.11155 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.