CID 255445

6-amino-5-bromo-1-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

Structural Information

Molecular Formula

C₅H₆BrN₃O₂

SMILES

CN1C(=C(C(=O)NC1=O)Br)N

InChI

InChI=1S/C5H6BrN3O2/c1-9-3(7)2(6)4(10)8-5(9)11/h7H2,1H3,(H,8,10,11)

InChIKey

BRSRMTYPQQXBMO-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 39
Patents: 218.96434 Da
Monoisotopic Mass: 0.0
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]+	219.971616	130.7
[M+Na]+	241.953558	145.3
[M-H]-	217.957064	134.0
[M+NH4]+	236.998163	149.8
[M+K]+	257.927498	133.1
[M+H-H2O]+	201.961600	129.9
[M+HCOO]-	263.962541	151.1
[M+CH3COO]-	277.978191	184.1
[M+Na-2H]-	239.939006	138.0
[M]+	218.96379142	148.1
[M]-	218.96488858	148.1

Literature stripe

literature stripe

Patent stripe

patents stripe