CID 208326

32000-65-0

Structural Information

Molecular Formula

C₁₂H₁₁BrN₂O₂

SMILES

CC1=C(C(=O)N(C(=O)N1C)C2=CC=CC=C2)Br

InChI

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

InChIKey

ADTVPFMABWHJLN-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 294.0004 Da
Monoisotopic Mass: 1.3
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	153.7
[M+Na]+	316.98962	160.5
[M+NH4]+	312.03422	157.6
[M+K]+	332.96356	159.7
[M-H]-	292.99312	155.2
[M+Na-2H]-	314.97507	159.0
[M]+	293.99985	154.0
[M]-	294.00095	154.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe