CID 16073395

Schembl2837517

Structural Information

Molecular Formula
C19H16FNO3
SMILES
CC1=CC2=C(C=C1C(=O)C)OC(=C2C(=O)NC)C3=CC=C(C=C3)F
InChI
InChI=1S/C19H16FNO3/c1-10-8-15-16(9-14(10)11(2)22)24-18(17(15)19(23)21-3)12-4-6-13(20)7-5-12/h4-9H,1-3H3,(H,21,23)
InChIKey
ZTFFOEXATRLEAF-UHFFFAOYSA-N
Compound name
6-acetyl-2-(4-fluorophenyl)-N,5-dimethyl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

325.11142 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.11870 175.0
[M+Na]+ 348.10064 185.4
[M-H]- 324.10414 183.5
[M+NH4]+ 343.14524 190.9
[M+K]+ 364.07458 181.9
[M+H-H2O]+ 308.10868 167.1
[M+HCOO]- 370.10962 197.6
[M+CH3COO]- 384.12527 213.6
[M+Na-2H]- 346.08609 176.4
[M]+ 325.11087 179.3
[M]- 325.11197 179.3
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