CID 101726

Eldoral

Structural Information

Molecular Formula

C₁₁H₁₇N₃O₃

SMILES

CCC1(C(=O)NC(=O)NC1=O)N2CCCCC2

InChI

InChI=1S/C11H17N3O3/c1-2-11(14-6-4-3-5-7-14)8(15)12-10(17)13-9(11)16/h2-7H2,1H3,(H2,12,13,15,16,17)

InChIKey

ZFVLHMJCLWOOOY-UHFFFAOYSA-N

Compound name

5-ethyl-5-piperidin-1-yl-1,3-diazinane-2,4,6-trione

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 337
References: 127
Patents: 239.127 Da
Monoisotopic Mass: 0.6
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]+	240.134276	157.4
[M+Na]+	262.116218	162.8
[M-H]-	238.119724	156.3
[M+NH4]+	257.160823	171.1
[M+K]+	278.090158	158.8
[M+H-H2O]+	222.124260	149.4
[M+HCOO]-	284.125201	168.2
[M+CH3COO]-	298.140851	185.5
[M+Na-2H]-	260.101666	159.0
[M]+	239.12645142	148.5
[M]-	239.12754858	148.5

Literature stripe

literature stripe

Patent stripe

patents stripe