CID 67747

Barbituric acid, 1,5,5-triethyl-, sodium salt

Structural Information

Molecular Formula

C₁₀H₁₆N₂O₃

SMILES

CCC1(C(=O)NC(=O)N(C1=O)CC)CC

InChI

InChI=1S/C10H16N2O3/c1-4-10(5-2)7(13)11-9(15)12(6-3)8(10)14/h4-6H2,1-3H3,(H,11,13,15)

InChIKey

NGTUNPVABSLDOF-UHFFFAOYSA-N

Compound name

1,5,5-triethyl-1,3-diazinane-2,4,6-trione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 212.11609 Da
Monoisotopic Mass: 1.5
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]+	213.123366	145.1
[M+Na]+	235.105308	154.0
[M-H]-	211.108814	144.9
[M+NH4]+	230.149913	163.1
[M+K]+	251.079248	151.6
[M+H-H2O]+	195.113350	139.6
[M+HCOO]-	257.114291	162.1
[M+CH3COO]-	271.129941	186.2
[M+Na-2H]-	233.090756	148.1
[M]+	212.11554142	144.5
[M]-	212.11663858	144.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe