CID 87282

17744-99-9

Structural Information

Molecular Formula

C₁₅H₁₀ClN₃

SMILES

C1=CC2=NC(=C(N2C=C1)CC#N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C15H10ClN3/c16-12-6-4-11(5-7-12)15-13(8-9-17)19-10-2-1-3-14(19)18-15/h1-7,10H,8H2

InChIKey

FSAJGWYHQNFYRC-UHFFFAOYSA-N

Compound name

2-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 267.05634 Da
Monoisotopic Mass: 3.7
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]+	268.063616	162.2
[M+Na]+	290.045558	176.3
[M-H]-	266.049064	165.5
[M+NH4]+	285.090163	177.7
[M+K]+	306.019498	166.6
[M+H-H2O]+	250.053600	147.0
[M+HCOO]-	312.054541	177.1
[M+CH3COO]-	326.070191	173.1
[M+Na-2H]-	288.031006	166.9
[M]+	267.05579142	160.7
[M]-	267.05688858	160.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe