CID 16073210

Schembl2841188

Structural Information

Molecular Formula
C15H11ClN2O2
SMILES
CNC(=O)C1=C(OC2=C1C=C(C=C2)Cl)C3=CN=CC=C3
InChI
InChI=1S/C15H11ClN2O2/c1-17-15(19)13-11-7-10(16)4-5-12(11)20-14(13)9-3-2-6-18-8-9/h2-8H,1H3,(H,17,19)
InChIKey
UVRJPBFARSGSLL-UHFFFAOYSA-N
Compound name
5-chloro-N-methyl-2-pyridin-3-yl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

286.0509 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.05818 163.1
[M+Na]+ 309.04012 174.4
[M-H]- 285.04362 171.1
[M+NH4]+ 304.08472 179.8
[M+K]+ 325.01406 169.6
[M+H-H2O]+ 269.04816 155.8
[M+HCOO]- 331.04910 182.8
[M+CH3COO]- 345.06475 176.4
[M+Na-2H]- 307.02557 169.1
[M]+ 286.05035 168.8
[M]- 286.05145 168.8
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