CID 118753470

Chembl3542347

Structural Information

Molecular Formula
C26H24FN3O4S
SMILES
CC1=NC(=C(S1)C2=CC=C(C=C2)F)C(=O)N3CCCCC3CNC(=O)C4=C5C6C(O6)OC5=CC=C4
InChI
InChI=1S/C26H24FN3O4S/c1-14-29-21(23(35-14)15-8-10-16(27)11-9-15)25(32)30-12-3-2-5-17(30)13-28-24(31)18-6-4-7-19-20(18)22-26(33-19)34-22/h4,6-11,17,22,26H,2-3,5,12-13H2,1H3,(H,28,31)
InChIKey
DPVAHVQLBOHLGD-UHFFFAOYSA-N
Compound name
N-[[1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]-1a,6b-dihydrooxireno[2,3-b][1]benzofuran-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

493.14716 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 494.15444 217.2
[M+Na]+ 516.13638 229.7
[M+NH4]+ 511.18098 224.0
[M+K]+ 532.11032 226.5
[M-H]- 492.13988 231.0
[M+Na-2H]- 514.12183 222.4
[M]+ 493.14661 224.3
[M]- 493.14771 224.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.