CID 208330

Brn 0884807

Structural Information

Molecular Formula

C₁₂H₁₁BrN₂O₂

SMILES

CC1=C(C(=O)N(C(=O)N1C2=CC=CC=C2)C)Br

InChI

InChI=1S/C12H11BrN2O2/c1-8-10(13)11(16)14(2)12(17)15(8)9-6-4-3-5-7-9/h3-7H,1-2H3

InChIKey

XRJBCGFEQBOYFG-UHFFFAOYSA-N

Compound name

5-bromo-3,6-dimethyl-1-phenylpyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 294.0004 Da
Monoisotopic Mass: 2.2
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]+	295.00768	150.7
[M+Na]+	316.98962	165.7
[M-H]-	292.99312	158.7
[M+NH4]+	312.03422	168.1
[M+K]+	332.96356	153.7
[M+H-H2O]+	276.99766	149.2
[M+HCOO]-	338.99860	171.4
[M+CH3COO]-	353.01425	199.2
[M+Na-2H]-	314.97507	157.5
[M]+	293.99985	172.1
[M]-	294.00095	172.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.