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]+ 353.149576 184.3
[M+Na]+ 375.131518 189.7
[M-H]- 351.135024 187.8
[M+NH4]+ 370.176123 194.1
[M+K]+ 391.105458 183.3
[M+H-H2O]+ 335.139560 173.8
[M+HCOO]- 397.140501 199.1
[M+CH3COO]- 411.156151 206.7
[M+Na-2H]- 373.116966 186.8
[M]+ 352.14175142 180.8
[M]- 352.14284858 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.