CID 16073311

Schembl2836630

Structural Information

Molecular Formula
C23H23FN2O5
SMILES
CC(=O)COC1=C(C=C2C(=C1)C(=C(O2)C3=CC=C(C=C3)F)C(=O)NC)N4CCOCC4
InChI
InChI=1S/C23H23FN2O5/c1-14(27)13-30-20-11-17-19(12-18(20)26-7-9-29-10-8-26)31-22(21(17)23(28)25-2)15-3-5-16(24)6-4-15/h3-6,11-12H,7-10,13H2,1-2H3,(H,25,28)
InChIKey
XMOSLPMPYCHIIE-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-N-methyl-6-morpholin-4-yl-5-(2-oxopropoxy)-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

426.1591 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.16638 202.1
[M+Na]+ 449.14832 208.4
[M-H]- 425.15182 211.5
[M+NH4]+ 444.19292 209.9
[M+K]+ 465.12226 206.4
[M+H-H2O]+ 409.15636 191.5
[M+HCOO]- 471.15730 218.2
[M+CH3COO]- 485.17295 230.3
[M+Na-2H]- 447.13377 201.3
[M]+ 426.15855 204.7
[M]- 426.15965 204.7
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

patents stripe