CID 13459

890-04-0

Structural Information

Molecular Formula

C₁₃H₂₀N₂O₃

SMILES

CCCC1C(=O)NC(=O)N(C1=O)C2CCCCC2

InChI

InChI=1S/C13H20N2O3/c1-2-6-10-11(16)14-13(18)15(12(10)17)9-7-4-3-5-8-9/h9-10H,2-8H2,1H3,(H,14,16,18)

InChIKey

RXDPKNUSKRDQNV-UHFFFAOYSA-N

Compound name

1-cyclohexyl-5-propyl-1,3-diazinane-2,4,6-trione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 252.1474 Da
Monoisotopic Mass: 2.3
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]+	253.15468	161.0
[M+Na]+	275.13662	170.7
[M+NH4]+	270.18122	166.8
[M+K]+	291.11056	165.3
[M-H]-	251.14012	161.7
[M+Na-2H]-	273.12207	163.3
[M]+	252.14685	162.1
[M]-	252.14795	162.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe