CID 43582602

N-(4-chlorophenyl)-1h-indole-4-carboxamide

Structural Information

Molecular Formula

C₁₅H₁₁ClN₂O

SMILES

C1=CC(=C2C=CNC2=C1)C(=O)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C15H11ClN2O/c16-10-4-6-11(7-5-10)18-15(19)13-2-1-3-14-12(13)8-9-17-14/h1-9,17H,(H,18,19)

InChIKey

IKWXUKHLMLWRPH-UHFFFAOYSA-N

Compound name

N-(4-chlorophenyl)-1H-indole-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 270.056 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]+	271.063276	158.5
[M+Na]+	293.045218	168.5
[M-H]-	269.048724	164.1
[M+NH4]+	288.089823	176.3
[M+K]+	309.019158	161.2
[M+H-H2O]+	253.053260	151.5
[M+HCOO]-	315.054201	177.6
[M+CH3COO]-	329.069851	170.9
[M+Na-2H]-	291.030666	164.3
[M]+	270.05545142	160.1
[M]-	270.05654858	160.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.