CID 16073209

Schembl2837359

Structural Information

Molecular Formula
C18H16FNO2
SMILES
CCC1=CC=C(C=C1)C2=C(C3=C(O2)C=CC(=C3)F)C(=O)NC
InChI
InChI=1S/C18H16FNO2/c1-3-11-4-6-12(7-5-11)17-16(18(21)20-2)14-10-13(19)8-9-15(14)22-17/h4-10H,3H2,1-2H3,(H,20,21)
InChIKey
MCXWJBVVYNDIKC-UHFFFAOYSA-N
Compound name
2-(4-ethylphenyl)-5-fluoro-N-methyl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

297.11652 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.123796 168.1
[M+Na]+ 320.105738 178.3
[M-H]- 296.109244 176.3
[M+NH4]+ 315.150343 185.1
[M+K]+ 336.079678 174.2
[M+H-H2O]+ 280.113780 160.1
[M+HCOO]- 342.114721 191.7
[M+CH3COO]- 356.130371 207.0
[M+Na-2H]- 318.091186 171.8
[M]+ 297.11597142 171.5
[M]- 297.11706858 171.5
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