CID 25215940

6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-amine

Structural Information

Molecular Formula
C6H5BrN4
SMILES
C1=CC2=NC(=NN2C=C1Br)N
InChI
InChI=1S/C6H5BrN4/c7-4-1-2-5-9-6(8)10-11(5)3-4/h1-3H,(H2,8,10)
InChIKey
XHBQNLHFUPSZNL-UHFFFAOYSA-N
Compound name
6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

282
Patents

211.96976 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.977036 131.9
[M+Na]+ 234.958978 147.0
[M-H]- 210.962484 136.1
[M+NH4]+ 230.003583 153.2
[M+K]+ 250.932918 135.5
[M+H-H2O]+ 194.967020 130.8
[M+HCOO]- 256.967961 153.8
[M+CH3COO]- 270.983611 147.9
[M+Na-2H]- 232.944426 142.2
[M]+ 211.96921142 151.1
[M]- 211.97030858 151.1
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

patents stripe