CID 16073255

Schembl2837620

Structural Information

Molecular Formula
C21H20FNO3
SMILES
CC(C)OC1=CC2=C(C=C1C=C)OC(=C2C(=O)NC)C3=CC=C(C=C3)F
InChI
InChI=1S/C21H20FNO3/c1-5-13-10-18-16(11-17(13)25-12(2)3)19(21(24)23-4)20(26-18)14-6-8-15(22)9-7-14/h5-12H,1H2,2-4H3,(H,23,24)
InChIKey
VEJNLJXNYIIPIF-UHFFFAOYSA-N
Compound name
6-ethenyl-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxy-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

353.14273 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.15001 184.7
[M+Na]+ 376.13195 194.1
[M-H]- 352.13545 192.8
[M+NH4]+ 371.17655 199.4
[M+K]+ 392.10589 190.2
[M+H-H2O]+ 336.13999 176.4
[M+HCOO]- 398.14093 206.6
[M+CH3COO]- 412.15658 219.6
[M+Na-2H]- 374.11740 185.0
[M]+ 353.14218 189.6
[M]- 353.14328 189.6
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