CID 16073385

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

Structural Information

Molecular Formula
C22H20FN3O5S2
SMILES
CNC(=O)C1=C(OC2=CC(=C(C=C21)OC)N(CS(=O)(=O)C)C3=CSC=N3)C4=CC=C(C=C4)F
InChI
InChI=1S/C22H20FN3O5S2/c1-24-22(27)20-15-8-18(30-2)16(26(12-33(3,28)29)19-10-32-11-25-19)9-17(15)31-21(20)13-4-6-14(23)7-5-13/h4-11H,12H2,1-3H3,(H,24,27)
InChIKey
GMDZYXGEXDLLKW-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-5-methoxy-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

489.08286 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 490.09014 214.5
[M+Na]+ 512.07208 224.0
[M-H]- 488.07558 226.0
[M+NH4]+ 507.11668 224.9
[M+K]+ 528.04602 220.7
[M+H-H2O]+ 472.08012 207.3
[M+HCOO]- 534.08106 228.4
[M+CH3COO]- 548.09671 239.6
[M+Na-2H]- 510.05753 214.8
[M]+ 489.08231 224.9
[M]- 489.08341 224.9
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.