CID 208331

32000-77-4

Structural Information

Molecular Formula

C₁₄H₁₃BrN₂O₂

SMILES

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

InChI

InChI=1S/C14H13BrN2O2/c1-3-9-16-13(18)12(15)10(2)17(14(16)19)11-7-5-4-6-8-11/h3-8H,1,9H2,2H3

InChIKey

UOOLSLRPFLXQDP-UHFFFAOYSA-N

Compound name

5-bromo-6-methyl-1-phenyl-3-prop-2-enylpyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 320.01605 Da
Monoisotopic Mass: 2.9
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]+	321.023326	158.3
[M+Na]+	343.005268	172.7
[M-H]-	319.008774	165.9
[M+NH4]+	338.049873	174.6
[M+K]+	358.979208	159.6
[M+H-H2O]+	303.013310	156.5
[M+HCOO]-	365.014251	178.5
[M+CH3COO]-	379.029901	204.0
[M+Na-2H]-	340.990716	164.0
[M]+	320.01550142	179.6
[M]-	320.01659858	179.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.