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]+ 309.12338 173.0
[M+Na]+ 331.10532 180.6
[M-H]- 307.10882 177.5
[M+NH4]+ 326.14992 185.2
[M+K]+ 347.07926 174.0
[M+H-H2O]+ 291.11336 163.5
[M+HCOO]- 353.11430 188.5
[M+CH3COO]- 367.12995 199.8
[M+Na-2H]- 329.09077 175.8
[M]+ 308.11555 168.0
[M]- 308.11665 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.