CID 13259029

88571-06-6

Structural Information

Molecular Formula

C₁₆H₁₄ClN₃O₂

SMILES

CCOC(=O)CC1=C(N=C2N1C=C(C=C2)Cl)C3=CC=CC=N3

InChI

InChI=1S/C16H14ClN3O2/c1-2-22-15(21)9-13-16(12-5-3-4-8-18-12)19-14-7-6-11(17)10-20(13)14/h3-8,10H,2,9H2,1H3

InChIKey

UAWJYOVKHDPWPP-UHFFFAOYSA-N

Compound name

ethyl 2-(6-chloro-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 315.07745 Da
Monoisotopic Mass: 3.2
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]+	316.084726	170.7
[M+Na]+	338.066668	182.0
[M-H]-	314.070174	175.0
[M+NH4]+	333.111273	185.0
[M+K]+	354.040608	175.8
[M+H-H2O]+	298.074710	161.2
[M+HCOO]-	360.075651	187.1
[M+CH3COO]-	374.091301	182.4
[M+Na-2H]-	336.052116	174.9
[M]+	315.07690142	177.5
[M]-	315.07799858	177.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.