CID 16073191

Schembl2839268

Structural Information

Molecular Formula
C22H19FN2O5
SMILES
CNC(=O)C1=C(OC2=CC(=C(C=C21)OC)C3=NOC=C3CCO)C4=CC=C(C=C4)F
InChI
InChI=1S/C22H19FN2O5/c1-24-22(27)19-15-9-17(28-2)16(20-13(7-8-26)11-29-25-20)10-18(15)30-21(19)12-3-5-14(23)6-4-12/h3-6,9-11,26H,7-8H2,1-2H3,(H,24,27)
InChIKey
PZBDCGIXESHFBF-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-6-[4-(2-hydroxyethyl)-1,2-oxazol-3-yl]-5-methoxy-N-methyl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

410.1278 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.13508 196.0
[M+Na]+ 433.11702 206.0
[M-H]- 409.12052 206.3
[M+NH4]+ 428.16162 206.5
[M+K]+ 449.09096 203.3
[M+H-H2O]+ 393.12506 187.6
[M+HCOO]- 455.12600 216.9
[M+CH3COO]- 469.14165 207.1
[M+Na-2H]- 431.10247 196.0
[M]+ 410.12725 203.5
[M]- 410.12835 203.5
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