CID 33925

Eterobarb

Structural Information

Molecular Formula
C16H20N2O5
SMILES
CCC1(C(=O)N(C(=O)N(C1=O)COC)COC)C2=CC=CC=C2
InChI
InChI=1S/C16H20N2O5/c1-4-16(12-8-6-5-7-9-12)13(19)17(10-22-2)15(21)18(11-23-3)14(16)20/h5-9H,4,10-11H2,1-3H3
InChIKey
DACOQFZGGLCXMA-UHFFFAOYSA-N
Compound name
5-ethyl-1,3-bis(methoxymethyl)-5-phenyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

30
References

1523
Patents

320.1372 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.14448 170.8
[M+Na]+ 343.12642 179.4
[M-H]- 319.12992 175.0
[M+NH4]+ 338.17102 184.7
[M+K]+ 359.10036 177.0
[M+H-H2O]+ 303.13446 162.4
[M+HCOO]- 365.13540 189.1
[M+CH3COO]- 379.15105 208.0
[M+Na-2H]- 341.11187 173.2
[M]+ 320.13665 174.8
[M]- 320.13775 174.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe