CID 7059251

6-amino-1-(4-bromophenyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione

Structural Information

Molecular Formula

C₁₀H₈BrN₃O₂

SMILES

C1=CC(=CC=C1N2C(=CC(=O)NC2=O)N)Br

InChI

InChI=1S/C10H8BrN3O2/c11-6-1-3-7(4-2-6)14-8(12)5-9(15)13-10(14)16/h1-5H,12H2,(H,13,15,16)

InChIKey

ZCWPLRQOAKXUNL-UHFFFAOYSA-N

Compound name

6-amino-1-(4-bromophenyl)pyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 280.97998 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]+	281.987256	148.2
[M+Na]+	303.969198	161.7
[M-H]-	279.972704	154.2
[M+NH4]+	299.013803	164.4
[M+K]+	319.943138	148.4
[M+H-H2O]+	263.977240	146.3
[M+HCOO]-	325.978181	168.3
[M+CH3COO]-	339.993831	194.3
[M+Na-2H]-	301.954646	155.4
[M]+	280.97943142	165.1
[M]-	280.98052858	165.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.