CID 16073530

Schembl2836525

Structural Information

Molecular Formula
C19H16FNO5
SMILES
CNC(=O)C1=C(OC2=CC(=C(C=C21)OC)C(=O)CO)C3=CC=C(C=C3)F
InChI
InChI=1S/C19H16FNO5/c1-21-19(24)17-13-8-15(25-2)12(14(23)9-22)7-16(13)26-18(17)10-3-5-11(20)6-4-10/h3-8,22H,9H2,1-2H3,(H,21,24)
InChIKey
SZWVVJDNPRBGGE-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-6-(2-hydroxyacetyl)-5-methoxy-N-methyl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

357.10126 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.10854 180.8
[M+Na]+ 380.09048 190.2
[M-H]- 356.09398 187.9
[M+NH4]+ 375.13508 194.4
[M+K]+ 396.06442 187.4
[M+H-H2O]+ 340.09852 172.7
[M+HCOO]- 402.09946 202.2
[M+CH3COO]- 416.11511 215.9
[M+Na-2H]- 378.07593 182.2
[M]+ 357.10071 186.1
[M]- 357.10181 186.1
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