CID 141716865

6-bromo-3-(ethylsulfanyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid

Structural Information

Molecular Formula
C10H9BrN2O2S
SMILES
CCSC1=C2C=CC(=CN2N=C1C(=O)O)Br
InChI
InChI=1S/C10H9BrN2O2S/c1-2-16-9-7-4-3-6(11)5-13(7)12-8(9)10(14)15/h3-5H,2H2,1H3,(H,14,15)
InChIKey
AQVCWPCSBBVCNH-UHFFFAOYSA-N
Compound name
6-bromo-3-ethylsulfanylpyrazolo[1,5-a]pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.95682 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.96410 147.8
[M+Na]+ 322.94604 163.0
[M-H]- 298.94954 152.8
[M+NH4]+ 317.99064 167.9
[M+K]+ 338.91998 150.7
[M+H-H2O]+ 282.95408 148.4
[M+HCOO]- 344.95502 162.9
[M+CH3COO]- 358.97067 195.1
[M+Na-2H]- 320.93149 152.4
[M]+ 299.95627 171.9
[M]- 299.95737 171.9
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

No patent data available for this compound.