CID 16073394

Schembl2838855

Structural Information

Molecular Formula
C20H20FNO3
SMILES
CC1=CC2=C(C=C1C(C)(C)O)OC(=C2C(=O)NC)C3=CC=C(C=C3)F
InChI
InChI=1S/C20H20FNO3/c1-11-9-14-16(10-15(11)20(2,3)24)25-18(17(14)19(23)22-4)12-5-7-13(21)8-6-12/h5-10,24H,1-4H3,(H,22,23)
InChIKey
UDAIKJRPFYSOON-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-6-(2-hydroxypropan-2-yl)-N,5-dimethyl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

341.14273 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.15001 180.7
[M+Na]+ 364.13195 190.5
[M-H]- 340.13545 187.8
[M+NH4]+ 359.17655 195.5
[M+K]+ 380.10589 186.7
[M+H-H2O]+ 324.13999 173.4
[M+HCOO]- 386.14093 200.6
[M+CH3COO]- 400.15658 214.6
[M+Na-2H]- 362.11740 183.4
[M]+ 341.14218 184.3
[M]- 341.14328 184.3
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

No patent data available for this compound.