CID 54556481

5-bromo-2-ethyl-3,4-dihydropyrimidin-4-one

Structural Information

Molecular Formula

C₆H₇BrN₂O

SMILES

CCC1=NC=C(C(=O)N1)Br

InChI

InChI=1S/C6H7BrN2O/c1-2-5-8-3-4(7)6(10)9-5/h3H,2H2,1H3,(H,8,9,10)

InChIKey

OERSSKTYLDIFNJ-UHFFFAOYSA-N

Compound name

5-bromo-2-ethyl-1H-pyrimidin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 201.97418 Da
Monoisotopic Mass: 0.6
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]+	202.981456	129.4
[M+Na]+	224.963398	142.8
[M-H]-	200.966904	132.5
[M+NH4]+	220.008003	149.4
[M+K]+	240.937338	131.3
[M+H-H2O]+	184.971440	129.3
[M+HCOO]-	246.972381	149.0
[M+CH3COO]-	260.988031	179.3
[M+Na-2H]-	222.948846	138.5
[M]+	201.97363142	147.6
[M]-	201.97472858	147.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe