CID 2461

Bucolome

Structural Information

Molecular Formula

C₁₄H₂₂N₂O₃

SMILES

CCCCC1C(=O)NC(=O)N(C1=O)C2CCCCC2

InChI

InChI=1S/C14H22N2O3/c1-2-3-9-11-12(17)15-14(19)16(13(11)18)10-7-5-4-6-8-10/h10-11H,2-9H2,1H3,(H,15,17,19)

InChIKey

DVEQCIBLXRSYPH-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 22
References: 7298
Patents: 266.16306 Da
Monoisotopic Mass: 2.9
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]+	267.17034	164.8
[M+Na]+	289.15228	169.2
[M-H]-	265.15578	166.0
[M+NH4]+	284.19688	177.7
[M+K]+	305.12622	165.3
[M+H-H2O]+	249.16032	156.4
[M+HCOO]-	311.16126	177.4
[M+CH3COO]-	325.17691	195.7
[M+Na-2H]-	287.13773	163.5
[M]+	266.16251	158.2
[M]-	266.16361	158.2

Literature stripe

literature stripe

Patent stripe

patents stripe