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]+ 213.96105 132.5
[M+Na]+ 235.94299 147.4
[M-H]- 211.94649 138.4
[M+NH4]+ 230.98759 153.7
[M+K]+ 251.91693 137.5
[M+H-H2O]+ 195.95103 131.9
[M+HCOO]- 257.95197 154.8
[M+CH3COO]- 271.96762 149.0
[M+Na-2H]- 233.92844 143.2
[M]+ 212.95322 153.0
[M]- 212.95432 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