CID 10046901

Schembl2841205

Structural Information

Molecular Formula
C19H17BrFNO3
SMILES
CC(C)OC1=C(C=C2C(=C1)C(=C(O2)C3=CC=C(C=C3)F)C(=O)NC)Br
InChI
InChI=1S/C19H17BrFNO3/c1-10(2)24-16-8-13-15(9-14(16)20)25-18(17(13)19(23)22-3)11-4-6-12(21)7-5-11/h4-10H,1-3H3,(H,22,23)
InChIKey
PZEMNJIEOHGVLT-UHFFFAOYSA-N
Compound name
6-bromo-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

31
Patents

405.03757 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.04485 191.4
[M+Na]+ 428.02679 203.4
[M-H]- 404.03029 201.6
[M+NH4]+ 423.07139 207.6
[M+K]+ 444.00073 192.7
[M+H-H2O]+ 388.03483 189.0
[M+HCOO]- 450.03577 210.9
[M+CH3COO]- 464.05142 221.9
[M+Na-2H]- 426.01224 193.0
[M]+ 405.03702 214.2
[M]- 405.03812 214.2
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