CID 16073437

5-ethyl-2-(4-fluoro-phenyl)-6-(methanesulfonyl-thiazol-4-ylmethyl-amino)-benzofuran-3-carboxylic acid methylamide

Structural Information

Molecular Formula
C23H22FN3O4S2
SMILES
CCC1=CC2=C(C=C1N(CS(=O)(=O)C)C3=CSC=N3)OC(=C2C(=O)NC)C4=CC=C(C=C4)F
InChI
InChI=1S/C23H22FN3O4S2/c1-4-14-9-17-19(10-18(14)27(13-33(3,29)30)20-11-32-12-26-20)31-22(21(17)23(28)25-2)15-5-7-16(24)8-6-15/h5-12H,4,13H2,1-3H3,(H,25,28)
InChIKey
UWXDRAJXDZGYOF-UHFFFAOYSA-N
Compound name
5-ethyl-2-(4-fluorophenyl)-N-methyl-6-[methylsulfonylmethyl(1,3-thiazol-4-yl)amino]-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

487.10358 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 488.11086 215.9
[M+Na]+ 510.09280 225.5
[M-H]- 486.09630 227.3
[M+NH4]+ 505.13740 226.6
[M+K]+ 526.06674 221.3
[M+H-H2O]+ 470.10084 208.7
[M+HCOO]- 532.10178 229.4
[M+CH3COO]- 546.11743 240.3
[M+Na-2H]- 508.07825 215.3
[M]+ 487.10303 225.3
[M]- 487.10413 225.3
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

No patent data available for this compound.