CID 3039619

50884-86-1

Structural Information

Molecular Formula

C₁₄H₂₄N₂O₄

SMILES

CCCCOCN1C(=O)C(C(=O)N(C1=O)C)(CC)CC

InChI

InChI=1S/C14H24N2O4/c1-5-8-9-20-10-16-12(18)14(6-2,7-3)11(17)15(4)13(16)19/h5-10H2,1-4H3

InChIKey

RJEBPDNBRDCCJZ-UHFFFAOYSA-N

Compound name

1-(butoxymethyl)-5,5-diethyl-3-methyl-1,3-diazinane-2,4,6-trione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 284.1736 Da
Monoisotopic Mass: 2.0
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]+	285.180876	162.9
[M+Na]+	307.162818	171.3
[M-H]-	283.166324	163.7
[M+NH4]+	302.207423	179.0
[M+K]+	323.136758	169.5
[M+H-H2O]+	267.170860	156.6
[M+HCOO]-	329.171801	180.3
[M+CH3COO]-	343.187451	204.1
[M+Na-2H]-	305.148266	164.1
[M]+	284.17305142	167.6
[M]-	284.17414858	167.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe