CID 59559990

5-bromo-n,n-dimethylpyrimidine-2-carboxamide

Structural Information

Molecular Formula

C₇H₈BrN₃O

SMILES

CN(C)C(=O)C1=NC=C(C=N1)Br

InChI

InChI=1S/C7H8BrN3O/c1-11(2)7(12)6-9-3-5(8)4-10-6/h3-4H,1-2H3

InChIKey

VLWQDZYFUMYZMT-UHFFFAOYSA-N

Compound name

5-bromo-N,N-dimethylpyrimidine-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 51
Patents: 228.98508 Da
Monoisotopic Mass: 0.7
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]+	229.99236	137.9
[M+Na]+	251.97430	140.9
[M+NH4]+	247.01890	141.9
[M+K]+	267.94824	142.1
[M-H]-	227.97780	137.8
[M+Na-2H]-	249.95975	141.8
[M]+	228.98453	137.0
[M]-	228.98563	137.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe