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

1
Patents

320.1372 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.144476 174.5
[M+Na]+ 343.126418 180.8
[M-H]- 319.129924 175.5
[M+NH4]+ 338.171023 186.5
[M+K]+ 359.100358 177.2
[M+H-H2O]+ 303.134460 166.9
[M+HCOO]- 365.135401 188.2
[M+CH3COO]- 379.151051 200.5
[M+Na-2H]- 341.111866 178.3
[M]+ 320.13665142 173.5
[M]- 320.13774858 173.5
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

patents stripe