CID 51050596

4-amino-1-(piperidin-3-yl)-1,2-dihydropyrimidin-2-one dihydrochloride

Structural Information

Molecular Formula

C₉H₁₄N₄O

SMILES

C1CC(CNC1)N2C=CC(=NC2=O)N

InChI

InChI=1S/C9H14N4O/c10-8-3-5-13(9(14)12-8)7-2-1-4-11-6-7/h3,5,7,11H,1-2,4,6H2,(H2,10,12,14)

InChIKey

FFFXVCGDOSDSQW-UHFFFAOYSA-N

Compound name

4-amino-1-piperidin-3-ylpyrimidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 194.11676 Da
Monoisotopic Mass: -1.0
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]+	195.124036	143.9
[M+Na]+	217.105978	150.5
[M-H]-	193.109484	144.3
[M+NH4]+	212.150583	157.7
[M+K]+	233.079918	146.3
[M+H-H2O]+	177.114020	134.9
[M+HCOO]-	239.114961	160.8
[M+CH3COO]-	253.130611	154.4
[M+Na-2H]-	215.091426	149.0
[M]+	194.11621142	136.4
[M]-	194.11730858	136.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe