CID 135517723

33080-87-4

Structural Information

Molecular Formula

C₉H₁₅N₅O

SMILES

CN1CCN(CC1)C2=NC(=CC(=O)N2)N

InChI

InChI=1S/C9H15N5O/c1-13-2-4-14(5-3-13)9-11-7(10)6-8(15)12-9/h6H,2-5H2,1H3,(H3,10,11,12,15)

InChIKey

CBICTOXYRHYTBJ-UHFFFAOYSA-N

Compound name

4-amino-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 209.12766 Da
Monoisotopic Mass: -1.4
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]+	210.13494	150.1
[M+Na]+	232.11688	157.8
[M-H]-	208.12038	149.6
[M+NH4]+	227.16148	162.3
[M+K]+	248.09082	153.2
[M+H-H2O]+	192.12492	140.6
[M+HCOO]-	254.12586	165.6
[M+CH3COO]-	268.14151	185.9
[M+Na-2H]-	230.10233	154.4
[M]+	209.12711	143.6
[M]-	209.12821	143.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.