CID 37273

1,3-dicyclohexylbarbituric acid

Structural Information

Molecular Formula

C₁₆H₂₄N₂O₃

SMILES

C1CCC(CC1)N2C(=O)CC(=O)N(C2=O)C3CCCCC3

InChI

InChI=1S/C16H24N2O3/c19-14-11-15(20)18(13-9-5-2-6-10-13)16(21)17(14)12-7-3-1-4-8-12/h12-13H,1-11H2

InChIKey

PRZQJMWBZWAUKW-UHFFFAOYSA-N

Compound name

1,3-dicyclohexyl-1,3-diazinane-2,4,6-trione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 160
Patents: 292.17868 Da
Monoisotopic Mass: 2.8
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]+	293.18596	172.6
[M+Na]+	315.16790	182.3
[M+NH4]+	310.21250	179.3
[M+K]+	331.14184	176.1
[M-H]-	291.17140	175.9
[M+Na-2H]-	313.15335	176.2
[M]+	292.17813	174.4
[M]-	292.17923	174.4

Literature stripe

literature stripe

Patent stripe

patents stripe