CID 40891

Brn 0706083

Structural Information

Molecular Formula
C16H20N2O5
SMILES
CC(C)(C)OOC1(C(=O)NC(=O)NC1=O)CCC2=CC=CC=C2
InChI
InChI=1S/C16H20N2O5/c1-15(2,3)22-23-16(10-9-11-7-5-4-6-8-11)12(19)17-14(21)18-13(16)20/h4-8H,9-10H2,1-3H3,(H2,17,18,19,20,21)
InChIKey
SNMPZGYSPHLFLT-UHFFFAOYSA-N
Compound name
5-tert-butylperoxy-5-(2-phenylethyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.1372 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.14448 174.1
[M+Na]+ 343.12642 183.8
[M+NH4]+ 338.17102 179.3
[M+K]+ 359.10036 178.1
[M-H]- 319.12992 173.0
[M+Na-2H]- 341.11187 178.9
[M]+ 320.13665 174.9
[M]- 320.13775 174.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.