CID 199554

4400-66-2

Structural Information

Molecular Formula
C15H24N2O4
SMILES
CC(C)CCC1C(=O)NC(=O)N(C1=O)C2CCC(CC2)O
InChI
InChI=1S/C15H24N2O4/c1-9(2)3-8-12-13(19)16-15(21)17(14(12)20)10-4-6-11(18)7-5-10/h9-12,18H,3-8H2,1-2H3,(H,16,19,21)
InChIKey
LXYKCFFPTGIOJS-UHFFFAOYSA-N
Compound name
1-(4-hydroxycyclohexyl)-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.1736 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.18088 172.0
[M+Na]+ 319.16282 180.3
[M+NH4]+ 314.20742 176.4
[M+K]+ 335.13676 176.4
[M-H]- 295.16632 171.4
[M+Na-2H]- 317.14827 172.2
[M]+ 296.17305 172.4
[M]- 296.17415 172.4
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.