CID 16073320

Schembl2839016

Structural Information

Molecular Formula
C20H20FNO4
SMILES
CC(C)OC1=CC2=C(C=C1CO)OC(=C2C(=O)NC)C3=CC=C(C=C3)F
InChI
InChI=1S/C20H20FNO4/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/h4-9,11,23H,10H2,1-3H3,(H,22,24)
InChIKey
SGIXTVMESRBHOM-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-6-(hydroxymethyl)-N-methyl-5-propan-2-yloxy-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

357.13763 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.14491 184.1
[M+Na]+ 380.12685 193.0
[M-H]- 356.13035 191.0
[M+NH4]+ 375.17145 197.9
[M+K]+ 396.10079 189.8
[M+H-H2O]+ 340.13489 175.9
[M+HCOO]- 402.13583 204.8
[M+CH3COO]- 416.15148 217.2
[M+Na-2H]- 378.11230 184.7
[M]+ 357.13708 189.0
[M]- 357.13818 189.0
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