CID 28814027

3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid

Structural Information

Molecular Formula
C14H11N3O3
SMILES
COC1=CC=C(C=C1)C2=NN=C3N2C=CC=C3C(=O)O
InChI
InChI=1S/C14H11N3O3/c1-20-10-6-4-9(5-7-10)12-15-16-13-11(14(18)19)3-2-8-17(12)13/h2-8H,1H3,(H,18,19)
InChIKey
HNALQFKRXCSRJV-UHFFFAOYSA-N
Compound name
3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

9315
References

0
Patents

269.08005 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.08733 158.3
[M+Na]+ 292.06927 169.2
[M-H]- 268.07277 162.0
[M+NH4]+ 287.11387 172.8
[M+K]+ 308.04321 164.8
[M+H-H2O]+ 252.07731 149.4
[M+HCOO]- 314.07825 178.9
[M+CH3COO]- 328.09390 170.6
[M+Na-2H]- 290.05472 163.9
[M]+ 269.07950 162.1
[M]- 269.08060 162.1
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.