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: 1
Patents: 296.1736 Da
Monoisotopic Mass: 2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	297.180876	172.4
[M+Na]+	319.162818	176.7
[M-H]-	295.166324	172.4
[M+NH4]+	314.207423	183.5
[M+K]+	335.136758	172.3
[M+H-H2O]+	279.170860	164.2
[M+HCOO]-	341.171801	183.2
[M+CH3COO]-	355.187451	199.9
[M+Na-2H]-	317.148266	169.6
[M]+	296.17305142	166.2
[M]-	296.17414858	166.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe