CID 48167

66843-10-5

Structural Information

Molecular Formula
C20H20N2O4
SMILES
C1=CC=C(C=C1)CCC2(C(=O)NC(=O)NC2=O)CCOC3=CC=CC=C3
InChI
InChI=1S/C20H20N2O4/c23-17-20(18(24)22-19(25)21-17,12-11-15-7-3-1-4-8-15)13-14-26-16-9-5-2-6-10-16/h1-10H,11-14H2,(H2,21,22,23,24,25)
InChIKey
GUSYDJHMDHKRFC-UHFFFAOYSA-N
Compound name
5-(2-phenoxyethyl)-5-(2-phenylethyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

352.1423 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.14958 184.3
[M+Na]+ 375.13152 189.7
[M-H]- 351.13502 187.8
[M+NH4]+ 370.17612 194.1
[M+K]+ 391.10546 183.3
[M+H-H2O]+ 335.13956 173.8
[M+HCOO]- 397.14050 199.1
[M+CH3COO]- 411.15615 206.7
[M+Na-2H]- 373.11697 186.8
[M]+ 352.14175 180.8
[M]- 352.14285 180.8
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.