CID 16073264

Schembl2842686

Structural Information

Molecular Formula
C22H23FN2O4
SMILES
CCOC1=C(C=C2C(=C1)C(=C(O2)C3=CC=C(C=C3)F)C(=O)NC)N4CCOCC4
InChI
InChI=1S/C22H23FN2O4/c1-3-28-19-12-16-18(13-17(19)25-8-10-27-11-9-25)29-21(20(16)22(26)24-2)14-4-6-15(23)7-5-14/h4-7,12-13H,3,8-11H2,1-2H3,(H,24,26)
InChIKey
FMKKBQKNAUJWPY-UHFFFAOYSA-N
Compound name
5-ethoxy-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

398.16418 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.17146 195.9
[M+Na]+ 421.15340 203.1
[M-H]- 397.15690 205.4
[M+NH4]+ 416.19800 205.2
[M+K]+ 437.12734 200.4
[M+H-H2O]+ 381.16144 185.4
[M+HCOO]- 443.16238 213.0
[M+CH3COO]- 457.17803 205.5
[M+Na-2H]- 419.13885 196.5
[M]+ 398.16363 198.0
[M]- 398.16473 198.0
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