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]+ 269.09206 158.1
[M+Na]+ 291.07400 167.6
[M-H]- 267.07750 162.6
[M+NH4]+ 286.11860 173.7
[M+K]+ 307.04794 163.2
[M+H-H2O]+ 251.08204 149.5
[M+HCOO]- 313.08298 179.7
[M+CH3COO]- 327.09863 170.3
[M+Na-2H]- 289.05945 163.9
[M]+ 268.08423 161.3
[M]- 268.08533 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.