CID 156906982

2-(3-chlorophenyl)-n-[(4s)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide

Structural Information

Molecular Formula

C₁₄H₁₁ClN₄O

SMILES

C1=CC2=NN=C(N2C=C1)NC(=O)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C14H11ClN4O/c15-11-5-3-4-10(8-11)9-13(20)16-14-18-17-12-6-1-2-7-19(12)14/h1-8H,9H2,(H,16,18,20)

InChIKey

PICHRHZICCXQLR-UHFFFAOYSA-N

Compound name

2-(3-chlorophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 286.06213 Da
Monoisotopic Mass: 2.9
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]+	287.069406	161.9
[M+Na]+	309.051348	172.4
[M-H]-	285.054854	166.0
[M+NH4]+	304.095953	176.8
[M+K]+	325.025288	166.0
[M+H-H2O]+	269.059390	152.4
[M+HCOO]-	331.060331	179.9
[M+CH3COO]-	345.075981	173.7
[M+Na-2H]-	307.036796	168.6
[M]+	286.06158142	165.6
[M]-	286.06267858	165.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.