CID 12375091

N-(2-chlorophenyl)-1h-indole-3-carboxamide

Structural Information

Molecular Formula
C15H11ClN2O
SMILES
C1=CC=C2C(=C1)C(=CN2)C(=O)NC3=CC=CC=C3Cl
InChI
InChI=1S/C15H11ClN2O/c16-12-6-2-4-8-14(12)18-15(19)11-9-17-13-7-3-1-5-10(11)13/h1-9,17H,(H,18,19)
InChIKey
OYUBLAUHKNUTEB-UHFFFAOYSA-N
Compound name
N-(2-chlorophenyl)-1H-indole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

36
Patents

270.056 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe