CID 3046133

1,3-bis-(carboethoxymethyl)-

Structural Information

Molecular Formula
C16H24N2O7
SMILES
CCC1(C(=O)N(C(=O)N(C1=O)CC(=O)OCC)CC(=O)OCC)CC
InChI
InChI=1S/C16H24N2O7/c1-5-16(6-2)13(21)17(9-11(19)24-7-3)15(23)18(14(16)22)10-12(20)25-8-4/h5-10H2,1-4H3
InChIKey
GBXQXCNGLFVFIP-UHFFFAOYSA-N
Compound name
ethyl 2-[3-(2-ethoxy-2-oxoethyl)-5,5-diethyl-2,4,6-trioxo-1,3-diazinan-1-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.15836 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.16564 181.5
[M+Na]+ 379.14758 188.8
[M+NH4]+ 374.19218 184.3
[M+K]+ 395.12152 184.8
[M-H]- 355.15108 177.2
[M+Na-2H]- 377.13303 181.1
[M]+ 356.15781 180.7
[M]- 356.15891 180.7
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.