CID 12198521

6-bromo-1-methyl-1h-imidazo[4,5-b]pyrazine

Structural Information

Molecular Formula
C6H5BrN4
SMILES
CN1C=NC2=NC=C(N=C21)Br
InChI
InChI=1S/C6H5BrN4/c1-11-3-9-5-6(11)10-4(7)2-8-5/h2-3H,1H3
InChIKey
FIDGTACXJMWVKZ-UHFFFAOYSA-N
Compound name
5-bromo-3-methylimidazo[4,5-b]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

211.96976 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.97704 131.3
[M+Na]+ 234.95898 147.5
[M-H]- 210.96248 134.7
[M+NH4]+ 230.00358 152.0
[M+K]+ 250.93292 136.7
[M+H-H2O]+ 194.96702 130.5
[M+HCOO]- 256.96796 151.7
[M+CH3COO]- 270.98361 147.5
[M+Na-2H]- 232.94443 142.2
[M]+ 211.96921 152.6
[M]- 211.97031 152.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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