CID 3043543

55675-67-7

Structural Information

Molecular Formula
C17H20N2O5
SMILES
CC(C1=CC=CC=C1)C2(C(=O)NC(=O)NC2=O)OC(=O)C(C)(C)C
InChI
InChI=1S/C17H20N2O5/c1-10(11-8-6-5-7-9-11)17(24-14(22)16(2,3)4)12(20)18-15(23)19-13(17)21/h5-10H,1-4H3,(H2,18,19,20,21,23)
InChIKey
HXXFJOVGNHNALL-UHFFFAOYSA-N
Compound name
[2,4,6-trioxo-5-(1-phenylethyl)-1,3-diazinan-5-yl] 2,2-dimethylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

332.1372 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.144476 175.8
[M+Na]+ 355.126418 181.6
[M-H]- 331.129924 177.0
[M+NH4]+ 350.171023 187.2
[M+K]+ 371.100358 178.5
[M+H-H2O]+ 315.134460 168.9
[M+HCOO]- 377.135401 187.5
[M+CH3COO]- 391.151051 204.0
[M+Na-2H]- 353.111866 177.1
[M]+ 332.13665142 173.3
[M]- 332.13774858 173.3
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