CID 33921

Brn 0710451

Structural Information

Molecular Formula
C14H20N2O7
SMILES
CCC1(C(=O)N(C(=O)N(C1=O)COC(=O)C)COC(=O)C)CC
InChI
InChI=1S/C14H20N2O7/c1-5-14(6-2)11(19)15(7-22-9(3)17)13(21)16(12(14)20)8-23-10(4)18/h5-8H2,1-4H3
InChIKey
RIRXYASKYWHVTR-UHFFFAOYSA-N
Compound name
[3-(acetyloxymethyl)-5,5-diethyl-2,4,6-trioxo-1,3-diazinan-1-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.12704 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.13432 165.5
[M+Na]+ 351.11626 173.6
[M-H]- 327.11976 166.5
[M+NH4]+ 346.16086 179.3
[M+K]+ 367.09020 173.6
[M+H-H2O]+ 311.12430 159.6
[M+HCOO]- 373.12524 182.0
[M+CH3COO]- 387.14089 209.7
[M+Na-2H]- 349.10171 165.4
[M]+ 328.12649 171.9
[M]- 328.12759 171.9
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

No patent data available for this compound.