CID 2386152

565165-71-1

Structural Information

Molecular Formula

C₈H₁₂BrN₃O₂

SMILES

CCCCN1C(=C(C(=O)NC1=O)Br)N

InChI

InChI=1S/C8H12BrN3O2/c1-2-3-4-12-6(10)5(9)7(13)11-8(12)14/h2-4,10H2,1H3,(H,11,13,14)

InChIKey

AUTKCNDJEGLZGP-UHFFFAOYSA-N

Compound name

6-amino-5-bromo-1-butylpyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 261.0113 Da
Monoisotopic Mass: 0.9
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]+	262.018576	144.2
[M+Na]+	284.000518	157.5
[M-H]-	260.004024	147.0
[M+NH4]+	279.045123	161.6
[M+K]+	299.974458	144.6
[M+H-H2O]+	244.008560	142.8
[M+HCOO]-	306.009501	163.6
[M+CH3COO]-	320.025151	192.6
[M+Na-2H]-	281.985966	150.0
[M]+	261.01075142	162.5
[M]-	261.01184858	162.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.