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

60
Patents

228.98508 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.992356 136.7
[M+Na]+ 251.974298 148.3
[M-H]- 227.977804 142.1
[M+NH4]+ 247.018903 156.3
[M+K]+ 267.948238 138.9
[M+H-H2O]+ 211.982340 135.1
[M+HCOO]- 273.983281 157.9
[M+CH3COO]- 287.998931 191.4
[M+Na-2H]- 249.959746 145.0
[M]+ 228.98453142 156.4
[M]- 228.98562858 156.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe