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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.99236 136.7
[M+Na]+ 251.97430 148.3
[M-H]- 227.97780 142.1
[M+NH4]+ 247.01890 156.3
[M+K]+ 267.94824 138.9
[M+H-H2O]+ 211.98234 135.1
[M+HCOO]- 273.98328 157.9
[M+CH3COO]- 287.99893 191.4
[M+Na-2H]- 249.95975 145.0
[M]+ 228.98453 156.4
[M]- 228.98563 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