CID 16073258

Schembl2839711

Structural Information

Molecular Formula
C20H18FNO4
SMILES
CC(C)OC1=CC2=C(C=C1C=O)OC(=C2C(=O)NC)C3=CC=C(C=C3)F
InChI
InChI=1S/C20H18FNO4/c1-11(2)25-16-9-15-17(8-13(16)10-23)26-19(18(15)20(24)22-3)12-4-6-14(21)7-5-12/h4-11H,1-3H3,(H,22,24)
InChIKey
JUNRUJKRXCGZMV-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-6-formyl-N-methyl-5-propan-2-yloxy-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

355.12198 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.12926 182.8
[M+Na]+ 378.11120 192.5
[M-H]- 354.11470 191.1
[M+NH4]+ 373.15580 197.3
[M+K]+ 394.08514 189.5
[M+H-H2O]+ 338.11924 174.5
[M+HCOO]- 400.12018 205.2
[M+CH3COO]- 414.13583 218.8
[M+Na-2H]- 376.09665 183.8
[M]+ 355.12143 188.8
[M]- 355.12253 188.8
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