CID 1083209

3-amino-n-(4-chlorophenyl)-1-benzofuran-2-carboxamide

Structural Information

Molecular Formula
C15H11ClN2O2
SMILES
C1=CC=C2C(=C1)C(=C(O2)C(=O)NC3=CC=C(C=C3)Cl)N
InChI
InChI=1S/C15H11ClN2O2/c16-9-5-7-10(8-6-9)18-15(19)14-13(17)11-3-1-2-4-12(11)20-14/h1-8H,17H2,(H,18,19)
InChIKey
JNELGAWRFWUJKS-UHFFFAOYSA-N
Compound name
3-amino-N-(4-chlorophenyl)-1-benzofuran-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

5
Patents

286.0509 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.058176 163.8
[M+Na]+ 309.040118 174.2
[M-H]- 285.043624 172.6
[M+NH4]+ 304.084723 181.3
[M+K]+ 325.014058 169.2
[M+H-H2O]+ 269.048160 157.4
[M+HCOO]- 331.049101 185.3
[M+CH3COO]- 345.064751 177.0
[M+Na-2H]- 307.025566 169.3
[M]+ 286.05035142 167.6
[M]- 286.05144858 167.6
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