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]+ 321.14448 174.5
[M+Na]+ 343.12642 180.8
[M-H]- 319.12992 175.5
[M+NH4]+ 338.17102 186.5
[M+K]+ 359.10036 177.2
[M+H-H2O]+ 303.13446 166.9
[M+HCOO]- 365.13540 188.2
[M+CH3COO]- 379.15105 200.5
[M+Na-2H]- 341.11187 178.3
[M]+ 320.13665 173.5
[M]- 320.13775 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