CID 10404293

Schembl2837514

Structural Information

Molecular Formula
C18H16FNO4
SMILES
CNC(=O)C1=C(OC2=CC(=C(C=C21)OC)OC)C3=CC=C(C=C3)F
InChI
InChI=1S/C18H16FNO4/c1-20-18(21)16-12-8-14(22-2)15(23-3)9-13(12)24-17(16)10-4-6-11(19)7-5-10/h4-9H,1-3H3,(H,20,21)
InChIKey
RUVPKKGVVYFLHX-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-5,6-dimethoxy-N-methyl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

329.10632 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.11360 174.1
[M+Na]+ 352.09554 184.8
[M-H]- 328.09904 182.7
[M+NH4]+ 347.14014 189.9
[M+K]+ 368.06948 182.2
[M+H-H2O]+ 312.10358 165.9
[M+HCOO]- 374.10452 198.1
[M+CH3COO]- 388.12017 212.6
[M+Na-2H]- 350.08099 177.4
[M]+ 329.10577 180.8
[M]- 329.10687 180.8
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