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

11
Patents

297.11652 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.12380 168.1
[M+Na]+ 320.10574 178.3
[M-H]- 296.10924 176.3
[M+NH4]+ 315.15034 185.1
[M+K]+ 336.07968 174.2
[M+H-H2O]+ 280.11378 160.1
[M+HCOO]- 342.11472 191.7
[M+CH3COO]- 356.13037 207.0
[M+Na-2H]- 318.09119 171.8
[M]+ 297.11597 171.5
[M]- 297.11707 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