CID 3054208

70959-41-0

Structural Information

Molecular Formula
C17H20N2O5
SMILES
CCC1(C(=O)N(C(=O)N(C1=O)CC(=O)OCC)C)C2=CC=CC=C2
InChI
InChI=1S/C17H20N2O5/c1-4-17(12-9-7-6-8-10-12)14(21)18(3)16(23)19(15(17)22)11-13(20)24-5-2/h6-10H,4-5,11H2,1-3H3
InChIKey
WPFSWUKFOLVXRS-UHFFFAOYSA-N
Compound name
ethyl 2-(5-ethyl-3-methyl-2,4,6-trioxo-5-phenyl-1,3-diazinan-1-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.1372 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.14448 173.4
[M+Na]+ 355.12642 181.6
[M-H]- 331.12992 177.6
[M+NH4]+ 350.17102 186.7
[M+K]+ 371.10036 179.0
[M+H-H2O]+ 315.13446 165.2
[M+HCOO]- 377.13540 190.6
[M+CH3COO]- 391.15105 210.5
[M+Na-2H]- 353.11187 174.2
[M]+ 332.13665 176.4
[M]- 332.13775 176.4
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

No patent data available for this compound.