CID 54759071

6-bromopyrido[2,3-b]pyrazine

Structural Information

Molecular Formula
C7H4BrN3
SMILES
C1=CC(=NC2=NC=CN=C21)Br
InChI
InChI=1S/C7H4BrN3/c8-6-2-1-5-7(11-6)10-4-3-9-5/h1-4H
InChIKey
JLMAHBCUEYQXKS-UHFFFAOYSA-N
Compound name
6-bromopyrido[2,3-b]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

208.95886 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.966136 130.8
[M+Na]+ 231.948078 144.5
[M-H]- 207.951584 134.5
[M+NH4]+ 226.992683 150.6
[M+K]+ 247.922018 133.4
[M+H-H2O]+ 191.956120 130.0
[M+HCOO]- 253.957061 149.9
[M+CH3COO]- 267.972711 146.2
[M+Na-2H]- 229.933526 143.8
[M]+ 208.95831142 149.5
[M]- 208.95940858 149.5
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