CID 10403447

Schembl2838934

Structural Information

Molecular Formula
C17H14ClNO3
SMILES
CNC(=O)C1=C(OC2=C1C=C(C=C2)OC)C3=CC=CC=C3Cl
InChI
InChI=1S/C17H14ClNO3/c1-19-17(20)15-12-9-10(21-2)7-8-14(12)22-16(15)11-5-3-4-6-13(11)18/h3-9H,1-2H3,(H,19,20)
InChIKey
AQZIWHCWRAYWCK-UHFFFAOYSA-N
Compound name
2-(2-chlorophenyl)-5-methoxy-N-methyl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

315.06622 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.07350 171.4
[M+Na]+ 338.05544 182.6
[M-H]- 314.05894 181.0
[M+NH4]+ 333.10004 188.7
[M+K]+ 354.02938 178.3
[M+H-H2O]+ 298.06348 165.1
[M+HCOO]- 360.06442 192.1
[M+CH3COO]- 374.08007 207.2
[M+Na-2H]- 336.04089 175.8
[M]+ 315.06567 179.3
[M]- 315.06677 179.3
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

patents stripe