CID 16073324

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

Structural Information

Molecular Formula
C23H22FN3O4
SMILES
CNC(=O)C1=C(OC2=CC(=C(C=C21)OCCC#N)N3CCOCC3)C4=CC=C(C=C4)F
InChI
InChI=1S/C23H22FN3O4/c1-26-23(28)21-17-13-20(30-10-2-7-25)18(27-8-11-29-12-9-27)14-19(17)31-22(21)15-3-5-16(24)6-4-15/h3-6,13-14H,2,8-12H2,1H3,(H,26,28)
InChIKey
OOMADECGONKQQO-UHFFFAOYSA-N
Compound name
5-(2-cyanoethoxy)-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

0
Patents

423.15942 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.16670 200.3
[M+Na]+ 446.14864 209.5
[M-H]- 422.15214 206.3
[M+NH4]+ 441.19324 207.0
[M+K]+ 462.12258 203.4
[M+H-H2O]+ 406.15668 182.8
[M+HCOO]- 468.15762 213.5
[M+CH3COO]- 482.17327 207.4
[M+Na-2H]- 444.13409 199.9
[M]+ 423.15887 196.7
[M]- 423.15997 196.7
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

No patent data available for this compound.