CID 13301

844-02-0

Structural Information

Molecular Formula

C₁₅H₂₄N₂O₃

SMILES

CCCCCC1C(=O)NC(=O)N(C1=O)C2CCCCC2

InChI

InChI=1S/C15H24N2O3/c1-2-3-5-10-12-13(18)16-15(20)17(14(12)19)11-8-6-4-7-9-11/h11-12H,2-10H2,1H3,(H,16,18,20)

InChIKey

OYASNZKXMOQVFP-UHFFFAOYSA-N

Compound name

1-cyclohexyl-5-pentyl-1,3-diazinane-2,4,6-trione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 280.17868 Da
Monoisotopic Mass: 3.5
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]+	281.185956	169.1
[M+Na]+	303.167898	173.1
[M-H]-	279.171404	170.1
[M+NH4]+	298.212503	181.4
[M+K]+	319.141838	168.9
[M+H-H2O]+	263.175940	160.5
[M+HCOO]-	325.176881	181.4
[M+CH3COO]-	339.192531	198.7
[M+Na-2H]-	301.153346	167.4
[M]+	280.17813142	162.9
[M]-	280.17922858	162.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.