CID 13300

844-00-8

Structural Information

Molecular Formula

C₁₅H₂₄N₂O₃

SMILES

CCCC(C)C1C(=O)NC(=O)N(C1=O)C2CCCCC2

InChI

InChI=1S/C15H24N2O3/c1-3-7-10(2)12-13(18)16-15(20)17(14(12)19)11-8-5-4-6-9-11/h10-12H,3-9H2,1-2H3,(H,16,18,20)

InChIKey

SVBFSOPFECVQKR-UHFFFAOYSA-N

Compound name

1-cyclohexyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 280.17868 Da
Monoisotopic Mass: 3.3
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]+	281.185956	168.7
[M+Na]+	303.167898	172.4
[M-H]-	279.171404	169.8
[M+NH4]+	298.212503	181.0
[M+K]+	319.141838	168.8
[M+H-H2O]+	263.175940	160.4
[M+HCOO]-	325.176881	180.0
[M+CH3COO]-	339.192531	199.6
[M+Na-2H]-	301.153346	165.9
[M]+	280.17813142	161.9
[M]-	280.17922858	161.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.