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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.06328 158.5
[M+Na]+ 293.04522 168.5
[M-H]- 269.04872 164.1
[M+NH4]+ 288.08982 176.3
[M+K]+ 309.01916 161.2
[M+H-H2O]+ 253.05326 151.5
[M+HCOO]- 315.05420 177.6
[M+CH3COO]- 329.06985 170.9
[M+Na-2H]- 291.03067 164.3
[M]+ 270.05545 160.1
[M]- 270.05655 160.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.