CID 208336

32000-83-2

Structural Information

Molecular Formula

C₁₂H₁₇BrN₂O₂

SMILES

CC1=C(C(=O)N(C(=O)N1C2CCCCC2)C)Br

InChI

InChI=1S/C12H17BrN2O2/c1-8-10(13)11(16)14(2)12(17)15(8)9-6-4-3-5-7-9/h9H,3-7H2,1-2H3

InChIKey

AUVDXWGCMGMKRM-UHFFFAOYSA-N

Compound name

5-bromo-1-cyclohexyl-3,6-dimethylpyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 300.04733 Da
Monoisotopic Mass: 2.5
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]+	301.054606	156.5
[M+Na]+	323.036548	168.6
[M-H]-	299.040054	163.4
[M+NH4]+	318.081153	173.5
[M+K]+	339.010488	157.0
[M+H-H2O]+	283.044590	155.0
[M+HCOO]-	345.045531	173.1
[M+CH3COO]-	359.061181	200.2
[M+Na-2H]-	321.021996	160.3
[M]+	300.04678142	173.8
[M]-	300.04787858	173.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.