CID 136576296

Ethyl 6-bromo-8-cyano-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylate

Structural Information

Molecular Formula
C10H7BrN4O2
SMILES
CCOC(=O)C1=NN2C=C(C=C(C2=N1)C#N)Br
InChI
InChI=1S/C10H7BrN4O2/c1-2-17-10(16)8-13-9-6(4-12)3-7(11)5-15(9)14-8/h3,5H,2H2,1H3
InChIKey
OQFDOFQNJPAICO-UHFFFAOYSA-N
Compound name
ethyl 6-bromo-8-cyano-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.97525 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.98253 148.3
[M+Na]+ 316.96447 163.8
[M-H]- 292.96797 149.9
[M+NH4]+ 312.00907 164.4
[M+K]+ 332.93841 152.2
[M+H-H2O]+ 276.97251 139.4
[M+HCOO]- 338.97345 166.4
[M+CH3COO]- 352.98910 207.4
[M+Na-2H]- 314.94992 154.6
[M]+ 293.97470 164.1
[M]- 293.97580 164.1
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

No patent data available for this compound.