CID 53393273

7-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-amine

Structural Information

Molecular Formula
C6H5BrN4
SMILES
C1=CN2C(=NN=C2N)C=C1Br
InChI
InChI=1S/C6H5BrN4/c7-4-1-2-11-5(3-4)9-10-6(11)8/h1-3H,(H2,8,10)
InChIKey
GYEQRUXVOAJWNY-UHFFFAOYSA-N
Compound name
7-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

211.96976 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.97704 138.6
[M+Na]+ 234.95898 142.7
[M+NH4]+ 230.00358 143.2
[M+K]+ 250.93292 144.3
[M-H]- 210.96248 138.5
[M+Na-2H]- 232.94443 142.2
[M]+ 211.96921 137.9
[M]- 211.97031 137.9
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

patents stripe