CID 2220392

Chembl367524

Structural Information

Molecular Formula
C18H16N2O3
SMILES
CCC1(C(=O)NC(=O)NC1=O)C2=CC=C(C=C2)C3=CC=CC=C3
InChI
InChI=1S/C18H16N2O3/c1-2-18(15(21)19-17(23)20-16(18)22)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H2,19,20,21,22,23)
InChIKey
XWZIZWWEAJZAMO-UHFFFAOYSA-N
Compound name
5-ethyl-5-(4-phenylphenyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

308.1161 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.123376 173.0
[M+Na]+ 331.105318 180.6
[M-H]- 307.108824 177.5
[M+NH4]+ 326.149923 185.2
[M+K]+ 347.079258 174.0
[M+H-H2O]+ 291.113360 163.5
[M+HCOO]- 353.114301 188.5
[M+CH3COO]- 367.129951 199.8
[M+Na-2H]- 329.090766 175.8
[M]+ 308.11555142 168.0
[M]- 308.11664858 168.0
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.