CID 10343076

Schembl2841021

Structural Information

Molecular Formula
C25H27FN2O4
SMILES
CNC(=O)C1=C(OC2=CC(=C(C=C21)OC3CCCC3)N4CCOCC4)C5=CC=C(C=C5)F
InChI
InChI=1S/C25H27FN2O4/c1-27-25(29)23-19-14-22(31-18-4-2-3-5-18)20(28-10-12-30-13-11-28)15-21(19)32-24(23)16-6-8-17(26)9-7-16/h6-9,14-15,18H,2-5,10-13H2,1H3,(H,27,29)
InChIKey
UOQMITIAINVHSN-UHFFFAOYSA-N
Compound name
5-cyclopentyloxy-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

438.1955 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.20278 203.3
[M+Na]+ 461.18472 208.1
[M-H]- 437.18822 215.4
[M+NH4]+ 456.22932 212.2
[M+K]+ 477.15866 205.2
[M+H-H2O]+ 421.19276 193.5
[M+HCOO]- 483.19370 218.7
[M+CH3COO]- 497.20935 211.8
[M+Na-2H]- 459.17017 199.8
[M]+ 438.19495 202.1
[M]- 438.19605 202.1
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