CID 16073390

Schembl2861803

Structural Information

Molecular Formula
C20H16FN3O3
SMILES
CNC(=O)C1=C(OC2=CC(=C(C=C21)OC)C3=NC=CN3)C4=CC=C(C=C4)F
InChI
InChI=1S/C20H16FN3O3/c1-22-20(25)17-13-9-15(26-2)14(19-23-7-8-24-19)10-16(13)27-18(17)11-3-5-12(21)6-4-11/h3-10H,1-2H3,(H,22,25)(H,23,24)
InChIKey
HWJNMVOTVWEEQP-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-6-(1H-imidazol-2-yl)-5-methoxy-N-methyl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

365.11758 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.12486 183.4
[M+Na]+ 388.10680 193.7
[M-H]- 364.11030 191.7
[M+NH4]+ 383.15140 195.7
[M+K]+ 404.08074 188.8
[M+H-H2O]+ 348.11484 174.1
[M+HCOO]- 410.11578 204.5
[M+CH3COO]- 424.13143 194.6
[M+Na-2H]- 386.09225 184.4
[M]+ 365.11703 187.0
[M]- 365.11813 187.0
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