CID 11742864

5-(difluoromethoxy)-2-(4-fluorophenyl)-n-methyl-6-morpholino-benzofuran-3-carboxamide

Structural Information

Molecular Formula
C21H19F3N2O4
SMILES
CNC(=O)C1=C(OC2=CC(=C(C=C21)OC(F)F)N3CCOCC3)C4=CC=C(C=C4)F
InChI
InChI=1S/C21H19F3N2O4/c1-25-20(27)18-14-10-17(30-21(23)24)15(26-6-8-28-9-7-26)11-16(14)29-19(18)12-2-4-13(22)5-3-12/h2-5,10-11,21H,6-9H2,1H3,(H,25,27)
InChIKey
VITBHECKKQUZBL-UHFFFAOYSA-N
Compound name
5-(difluoromethoxy)-2-(4-fluorophenyl)-N-methyl-6-morpholin-4-yl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

420.1297 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.13698 198.0
[M+Na]+ 443.11892 205.5
[M-H]- 419.12242 205.0
[M+NH4]+ 438.16352 206.2
[M+K]+ 459.09286 202.6
[M+H-H2O]+ 403.12696 186.0
[M+HCOO]- 465.12790 212.3
[M+CH3COO]- 479.14355 206.7
[M+Na-2H]- 441.10437 196.8
[M]+ 420.12915 197.3
[M]- 420.13025 197.3
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