CID 216563

37431-40-6

Structural Information

Molecular Formula
C17H20N2O5
SMILES
CCC(=O)OC1(C(=O)N(C(=O)N(C1=O)C)C)C(C)C2=CC=CC=C2
InChI
InChI=1S/C17H20N2O5/c1-5-13(20)24-17(11(2)12-9-7-6-8-10-12)14(21)18(3)16(23)19(4)15(17)22/h6-11H,5H2,1-4H3
InChIKey
MJRCRPBSITUCBV-UHFFFAOYSA-N
Compound name
[1,3-dimethyl-2,4,6-trioxo-5-(1-phenylethyl)-1,3-diazinan-5-yl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

332.1372 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.14448 176.1
[M+Na]+ 355.12642 187.2
[M+NH4]+ 350.17102 181.5
[M+K]+ 371.10036 181.3
[M-H]- 331.12992 176.1
[M+Na-2H]- 353.11187 180.6
[M]+ 332.13665 177.4
[M]- 332.13775 177.4
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