CID 122575

Brn 1224424

Structural Information

Molecular Formula

C₁₆H₂₅N₃O₃

SMILES

CC1=C(C(=O)N(C(=O)N1C2CCCCC2)C)N3CCOCC3

InChI

InChI=1S/C16H25N3O3/c1-12-14(18-8-10-22-11-9-18)15(20)17(2)16(21)19(12)13-6-4-3-5-7-13/h13H,3-11H2,1-2H3

InChIKey

GZIZRUUMRJJNQT-UHFFFAOYSA-N

Compound name

1-cyclohexyl-3,6-dimethyl-5-morpholin-4-ylpyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 307.1896 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]+	308.196876	175.9
[M+Na]+	330.178818	181.9
[M-H]-	306.182324	181.3
[M+NH4]+	325.223423	184.9
[M+K]+	346.152758	178.7
[M+H-H2O]+	290.186860	164.7
[M+HCOO]-	352.187801	188.0
[M+CH3COO]-	366.203451	205.3
[M+Na-2H]-	328.164266	175.8
[M]+	307.18905142	171.3
[M]-	307.19014858	171.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.