CID 7063877

3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoic acid

Structural Information

Molecular Formula
C15H12N2O3
SMILES
C1=CC2=NC(=CN2C=C1)COC3=CC=CC(=C3)C(=O)O
InChI
InChI=1S/C15H12N2O3/c18-15(19)11-4-3-5-13(8-11)20-10-12-9-17-7-2-1-6-14(17)16-12/h1-9H,10H2,(H,18,19)
InChIKey
ROUKEPGFOKOYLW-UHFFFAOYSA-N
Compound name
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

268.08478 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.092056 158.1
[M+Na]+ 291.073998 167.6
[M-H]- 267.077504 162.6
[M+NH4]+ 286.118603 173.7
[M+K]+ 307.047938 163.2
[M+H-H2O]+ 251.082040 149.5
[M+HCOO]- 313.082981 179.7
[M+CH3COO]- 327.098631 170.3
[M+Na-2H]- 289.059446 163.9
[M]+ 268.08423142 161.3
[M]- 268.08532858 161.3
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

No patent data available for this compound.