CID 135474610

Chembl318973

Structural Information

Molecular Formula

C₈H₁₄N₄O₂

SMILES

C1=C(N=C(NC1=O)N)NCCCCO

InChI

InChI=1S/C8H14N4O2/c9-8-11-6(5-7(14)12-8)10-3-1-2-4-13/h5,13H,1-4H2,(H4,9,10,11,12,14)

InChIKey

AAVFIKDCIKRSOM-UHFFFAOYSA-N

Compound name

2-amino-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 198.11168 Da
Monoisotopic Mass: -1.1
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]+	199.11896	142.5
[M+Na]+	221.10090	149.8
[M-H]-	197.10440	140.6
[M+NH4]+	216.14550	157.2
[M+K]+	237.07484	146.0
[M+H-H2O]+	181.10894	135.0
[M+HCOO]-	243.10988	163.8
[M+CH3COO]-	257.12553	183.8
[M+Na-2H]-	219.08635	148.5
[M]+	198.11113	139.7
[M]-	198.11223	139.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.