CID 10406829

Schembl2839891

Structural Information

Molecular Formula
C20H19FN2O4
SMILES
CNC(=O)C1=C(OC2=CC(=C(C=C21)O)N3CCOCC3)C4=CC=C(C=C4)F
InChI
InChI=1S/C20H19FN2O4/c1-22-20(25)18-14-10-16(24)15(23-6-8-26-9-7-23)11-17(14)27-19(18)12-2-4-13(21)5-3-12/h2-5,10-11,24H,6-9H2,1H3,(H,22,25)
InChIKey
ODNYJDSFFFBTNW-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-5-hydroxy-N-methyl-6-morpholin-4-yl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

370.13287 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.14015 186.5
[M+Na]+ 393.12209 194.2
[M-H]- 369.12559 195.1
[M+NH4]+ 388.16669 196.3
[M+K]+ 409.09603 191.2
[M+H-H2O]+ 353.13013 176.8
[M+HCOO]- 415.13107 202.9
[M+CH3COO]- 429.14672 196.4
[M+Na-2H]- 391.10754 187.9
[M]+ 370.13232 186.4
[M]- 370.13342 186.4
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