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

2
Patents

332.1372 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.14448 175.8
[M+Na]+ 355.12642 181.6
[M-H]- 331.12992 177.0
[M+NH4]+ 350.17102 187.2
[M+K]+ 371.10036 178.5
[M+H-H2O]+ 315.13446 168.9
[M+HCOO]- 377.13540 187.5
[M+CH3COO]- 391.15105 204.0
[M+Na-2H]- 353.11187 177.1
[M]+ 332.13665 173.3
[M]- 332.13775 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