CID 16073360

Schembl2836787

Structural Information

Molecular Formula
C18H13FN2O3
SMILES
CNC(=O)C1=C(OC2=C1C=C(C(=C2)C#N)OC)C3=CC=C(C=C3)F
InChI
InChI=1S/C18H13FN2O3/c1-21-18(22)16-13-8-14(23-2)11(9-20)7-15(13)24-17(16)10-3-5-12(19)6-4-10/h3-8H,1-2H3,(H,21,22)
InChIKey
OWNQULXZMSQTRB-UHFFFAOYSA-N
Compound name
6-cyano-2-(4-fluorophenyl)-5-methoxy-N-methyl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

324.09103 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.09831 178.0
[M+Na]+ 347.08025 190.8
[M-H]- 323.08375 184.2
[M+NH4]+ 342.12485 191.9
[M+K]+ 363.05419 184.9
[M+H-H2O]+ 307.08829 163.2
[M+HCOO]- 369.08923 197.7
[M+CH3COO]- 383.10488 220.7
[M+Na-2H]- 345.06570 180.0
[M]+ 324.09048 177.0
[M]- 324.09158 177.0
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