CID 16073210

Schembl2841188

Structural Information

Molecular Formula

C₁₅H₁₁ClN₂O₂

SMILES

CNC(=O)C1=C(OC2=C1C=C(C=C2)Cl)C3=CN=CC=C3

InChI

InChI=1S/C15H11ClN2O2/c1-17-15(19)13-11-7-10(16)4-5-12(11)20-14(13)9-3-2-6-18-8-9/h2-8H,1H3,(H,17,19)

InChIKey

UVRJPBFARSGSLL-UHFFFAOYSA-N

Compound name

5-chloro-N-methyl-2-pyridin-3-yl-1-benzofuran-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 286.0509 Da
Monoisotopic Mass: 2.8
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]+	287.058176	163.1
[M+Na]+	309.040118	174.4
[M-H]-	285.043624	171.1
[M+NH4]+	304.084723	179.8
[M+K]+	325.014058	169.6
[M+H-H2O]+	269.048160	155.8
[M+HCOO]-	331.049101	182.8
[M+CH3COO]-	345.064751	176.4
[M+Na-2H]-	307.025566	169.1
[M]+	286.05035142	168.8
[M]-	286.05144858	168.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe