CID 87285

17745-06-1

Structural Information

Molecular Formula
C15H11ClN2O2
SMILES
C1=CC2=NC(=C(N2C=C1)CC(=O)O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C15H11ClN2O2/c16-11-6-4-10(5-7-11)15-12(9-14(19)20)18-8-2-1-3-13(18)17-15/h1-8H,9H2,(H,19,20)
InChIKey
ZPHLXYYPDRCBMG-UHFFFAOYSA-N
Compound name
2-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

286.0509 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.05818 161.7
[M+Na]+ 309.04012 173.1
[M-H]- 285.04362 166.3
[M+NH4]+ 304.08472 177.9
[M+K]+ 325.01406 166.5
[M+H-H2O]+ 269.04816 153.9
[M+HCOO]- 331.04910 178.5
[M+CH3COO]- 345.06475 174.0
[M+Na-2H]- 307.02557 166.2
[M]+ 286.05035 166.1
[M]- 286.05145 166.1
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

patents stripe