CID 13969

1042-93-9

Structural Information

Molecular Formula
C16H24N2O5
SMILES
CCCCC1C(=O)NC(=O)N(C1=O)C2CCC(CC2)OC(=O)C
InChI
InChI=1S/C16H24N2O5/c1-3-4-5-13-14(20)17-16(22)18(15(13)21)11-6-8-12(9-7-11)23-10(2)19/h11-13H,3-9H2,1-2H3,(H,17,20,22)
InChIKey
BPUYNCJCQVSSST-UHFFFAOYSA-N
Compound name
[4-(5-butyl-2,4,6-trioxo-1,3-diazinan-1-yl)cyclohexyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.16852 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.17580 177.6
[M+Na]+ 347.15774 185.8
[M+NH4]+ 342.20234 181.3
[M+K]+ 363.13168 181.8
[M-H]- 323.16124 176.7
[M+Na-2H]- 345.14319 177.7
[M]+ 324.16797 177.8
[M]- 324.16907 177.8
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