CID 213998

Brn 0756849

Structural Information

Molecular Formula
C12H20N2O5
SMILES
CCC1(C(=O)N(C(=O)N(C1=O)COC)COC)CC
InChI
InChI=1S/C12H20N2O5/c1-5-12(6-2)9(15)13(7-18-3)11(17)14(8-19-4)10(12)16/h5-8H2,1-4H3
InChIKey
BPVMDQZKUJQQQB-UHFFFAOYSA-N
Compound name
5,5-diethyl-1,3-bis(methoxymethyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

272.1372 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.14448 156.5
[M+Na]+ 295.12642 165.6
[M-H]- 271.12992 157.7
[M+NH4]+ 290.17102 173.0
[M+K]+ 311.10036 164.8
[M+H-H2O]+ 255.13446 150.5
[M+HCOO]- 317.13540 174.8
[M+CH3COO]- 331.15105 200.3
[M+Na-2H]- 293.11187 158.9
[M]+ 272.13665 161.9
[M]- 272.13775 161.9
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