CID 86775533

5-bromo-[1,3]oxazolo[5,4-b]pyridin-2-amine

Structural Information

Molecular Formula
C6H4BrN3O
SMILES
C1=CC(=NC2=C1N=C(O2)N)Br
InChI
InChI=1S/C6H4BrN3O/c7-4-2-1-3-5(10-4)11-6(8)9-3/h1-2H,(H2,8,9)
InChIKey
AUFBZOBAJNXOGL-UHFFFAOYSA-N
Compound name
5-bromo-[1,3]oxazolo[5,4-b]pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.95377 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.961046 132.5
[M+Na]+ 235.942988 147.4
[M-H]- 211.946494 138.4
[M+NH4]+ 230.987593 153.7
[M+K]+ 251.916928 137.5
[M+H-H2O]+ 195.951030 131.9
[M+HCOO]- 257.951971 154.8
[M+CH3COO]- 271.967621 149.0
[M+Na-2H]- 233.928436 143.2
[M]+ 212.95322142 153.0
[M]- 212.95431858 153.0
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