CID 199449

4192-36-3

Structural Information

Molecular Formula
C15H24N2O4
SMILES
CCCCCC1C(=O)NC(=O)N(C1=O)C2CCC(CC2)O
InChI
InChI=1S/C15H24N2O4/c1-2-3-4-5-12-13(19)16-15(21)17(14(12)20)10-6-8-11(18)9-7-10/h10-12,18H,2-9H2,1H3,(H,16,19,21)
InChIKey
KZJGLFUMYZSEBV-UHFFFAOYSA-N
Compound name
1-(4-hydroxycyclohexyl)-5-pentyl-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

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.18088 172.4
[M+Na]+ 319.16282 176.7
[M-H]- 295.16632 172.4
[M+NH4]+ 314.20742 183.5
[M+K]+ 335.13676 172.3
[M+H-H2O]+ 279.17086 164.2
[M+HCOO]- 341.17180 183.2
[M+CH3COO]- 355.18745 199.9
[M+Na-2H]- 317.14827 169.6
[M]+ 296.17305 166.2
[M]- 296.17415 166.2
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