CID 10048210

Schembl2835972

Structural Information

Molecular Formula
C23H25FN2O5
SMILES
CNC(=O)C1=C(OC2=CC(=C(C=C21)OCCOC)N3CCOCC3)C4=CC=C(C=C4)F
InChI
InChI=1S/C23H25FN2O5/c1-25-23(27)21-17-13-20(30-12-11-28-2)18(26-7-9-29-10-8-26)14-19(17)31-22(21)15-3-5-16(24)6-4-15/h3-6,13-14H,7-12H2,1-2H3,(H,25,27)
InChIKey
PVEJHYYXBAMUHJ-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-5-(2-methoxyethoxy)-N-methyl-6-morpholin-4-yl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

428.17474 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.18202 202.8
[M+Na]+ 451.16396 209.1
[M-H]- 427.16746 212.0
[M+NH4]+ 446.20856 210.7
[M+K]+ 467.13790 207.1
[M+H-H2O]+ 411.17200 191.9
[M+HCOO]- 473.17294 219.6
[M+CH3COO]- 487.18859 229.9
[M+Na-2H]- 449.14941 203.0
[M]+ 428.17419 206.6
[M]- 428.17529 206.6
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