CID 72219312

5-bromo-n-methylpyrazine-2-carboxamide

Structural Information

Molecular Formula
C6H6BrN3O
SMILES
CNC(=O)C1=CN=C(C=N1)Br
InChI
InChI=1S/C6H6BrN3O/c1-8-6(11)4-2-10-5(7)3-9-4/h2-3H,1H3,(H,8,11)
InChIKey
BXHHIPJCZWKLSU-UHFFFAOYSA-N
Compound name
5-bromo-N-methylpyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.96942 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.976696 132.7
[M+Na]+ 237.958638 144.6
[M-H]- 213.962144 136.8
[M+NH4]+ 233.003243 152.2
[M+K]+ 253.932578 134.0
[M+H-H2O]+ 197.966680 131.4
[M+HCOO]- 259.967621 153.7
[M+CH3COO]- 273.983271 185.3
[M+Na-2H]- 235.944086 142.2
[M]+ 214.96887142 150.9
[M]- 214.96996858 150.9
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

No patent data available for this compound.