CID 16073319

Schembl2840445

Structural Information

Molecular Formula
C24H27FN2O4
SMILES
CC(C)OC1=CC2=C(C=C1CN3CCOCC3)OC(=C2C(=O)NC)C4=CC=C(C=C4)F
InChI
InChI=1S/C24H27FN2O4/c1-15(2)30-20-13-19-21(12-17(20)14-27-8-10-29-11-9-27)31-23(22(19)24(28)26-3)16-4-6-18(25)7-5-16/h4-7,12-13,15H,8-11,14H2,1-3H3,(H,26,28)
InChIKey
LPSKVHDBXVSAGE-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-N-methyl-6-(morpholin-4-ylmethyl)-5-propan-2-yloxy-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

426.1955 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.20278 205.3
[M+Na]+ 449.18472 211.2
[M-H]- 425.18822 214.5
[M+NH4]+ 444.22932 213.4
[M+K]+ 465.15866 208.8
[M+H-H2O]+ 409.19276 194.7
[M+HCOO]- 471.19370 220.7
[M+CH3COO]- 485.20935 231.5
[M+Na-2H]- 447.17017 203.7
[M]+ 426.19495 207.5
[M]- 426.19605 207.5
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