CID 16073529

Schembl2838963

Structural Information

Molecular Formula
C20H15FN2O3S
SMILES
CNC(=O)C1=C(OC2=C1C=C(C=C2)OCC3=CSC=N3)C4=CC=C(C=C4)F
InChI
InChI=1S/C20H15FN2O3S/c1-22-20(24)18-16-8-15(25-9-14-10-27-11-23-14)6-7-17(16)26-19(18)12-2-4-13(21)5-3-12/h2-8,10-11H,9H2,1H3,(H,22,24)
InChIKey
MBMMVMOEKVSOKS-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-N-methyl-5-(1,3-thiazol-4-ylmethoxy)-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

382.07874 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.08602 187.2
[M+Na]+ 405.06796 198.1
[M-H]- 381.07146 198.0
[M+NH4]+ 400.11256 201.6
[M+K]+ 421.04190 193.7
[M+H-H2O]+ 365.07600 179.4
[M+HCOO]- 427.07694 206.7
[M+CH3COO]- 441.09259 199.2
[M+Na-2H]- 403.05341 187.3
[M]+ 382.07819 194.4
[M]- 382.07929 194.4
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