CID 75192

5,5-dipropylbarbituric acid

Structural Information

Molecular Formula

C₁₀H₁₆N₂O₃

SMILES

CCCC1(C(=O)NC(=O)NC1=O)CCC

InChI

InChI=1S/C10H16N2O3/c1-3-5-10(6-4-2)7(13)11-9(15)12-8(10)14/h3-6H2,1-2H3,(H2,11,12,13,14,15)

InChIKey

RCOUWKSZRXJXLA-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 334
Patents: 212.11609 Da
Monoisotopic Mass: 1.7
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]+	213.12337	149.6
[M+Na]+	235.10531	159.0
[M+NH4]+	230.14991	156.0
[M+K]+	251.07925	152.6
[M-H]-	211.10881	147.5
[M+Na-2H]-	233.09076	152.4
[M]+	212.11554	150.0
[M]-	212.11664	150.0

Literature stripe

literature stripe

Patent stripe

patents stripe