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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	287.05818	161.7
[M+Na]+	309.04012	178.0
[M+NH4]+	304.08472	169.9
[M+K]+	325.01406	171.8
[M-H]-	285.04362	164.8
[M+Na-2H]-	307.02557	170.0
[M]+	286.05035	165.3
[M]-	286.05145	165.3

Literature stripe

literature stripe

Patent stripe

patents stripe