CID 16073434

Schembl2837312

Structural Information

Molecular Formula
C20H18FNO3
SMILES
CCC1=CC2=C(C=C1C(=O)C)OC(=C2C(=O)NC)C3=CC=C(C=C3)F
InChI
InChI=1S/C20H18FNO3/c1-4-12-9-16-17(10-15(12)11(2)23)25-19(18(16)20(24)22-3)13-5-7-14(21)8-6-13/h5-10H,4H2,1-3H3,(H,22,24)
InChIKey
PAWFIEHYLJFDFP-UHFFFAOYSA-N
Compound name
6-acetyl-5-ethyl-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

339.12708 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.13436 179.9
[M+Na]+ 362.11630 189.8
[M-H]- 338.11980 188.2
[M+NH4]+ 357.16090 195.2
[M+K]+ 378.09024 186.0
[M+H-H2O]+ 322.12434 171.8
[M+HCOO]- 384.12528 202.1
[M+CH3COO]- 398.14093 216.6
[M+Na-2H]- 360.10175 180.7
[M]+ 339.12653 184.5
[M]- 339.12763 184.5
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