CID 16073536

Schembl2839276

Structural Information

Molecular Formula
C21H20FNO4
SMILES
CNC(=O)C1=C(OC2=CC(=C(C=C21)OC)C3CCOC3)C4=CC=C(C=C4)F
InChI
InChI=1S/C21H20FNO4/c1-23-21(24)19-16-10-17(25-2)15(13-7-8-26-11-13)9-18(16)27-20(19)12-3-5-14(22)6-4-12/h3-6,9-10,13H,7-8,11H2,1-2H3,(H,23,24)
InChIKey
SAYKJINTOCFMTR-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-5-methoxy-N-methyl-6-(oxolan-3-yl)-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

369.13763 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.14491 185.9
[M+Na]+ 392.12685 194.5
[M-H]- 368.13035 197.8
[M+NH4]+ 387.17145 200.0
[M+K]+ 408.10079 192.3
[M+H-H2O]+ 352.13489 178.5
[M+HCOO]- 414.13583 207.1
[M+CH3COO]- 428.15148 197.7
[M+Na-2H]- 390.11230 185.8
[M]+ 369.13708 189.8
[M]- 369.13818 189.8
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