CID 16073186

2-(4-fluorophenyl)-5-isopropoxy-n-methyl-6-[methylsulfonylmethyl(thiazol-4-yl)amino]benzofuran-3-carboxamide

Structural Information

Molecular Formula
C24H24FN3O5S2
SMILES
CC(C)OC1=C(C=C2C(=C1)C(=C(O2)C3=CC=C(C=C3)F)C(=O)NC)N(CS(=O)(=O)C)C4=CSC=N4
InChI
InChI=1S/C24H24FN3O5S2/c1-14(2)32-20-9-17-19(10-18(20)28(13-35(4,30)31)21-11-34-12-27-21)33-23(22(17)24(29)26-3)15-5-7-16(25)8-6-15/h5-12,14H,13H2,1-4H3,(H,26,29)
InChIKey
YJPQGYHNIOBUOQ-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-N-methyl-6-[methylsulfonylmethyl(1,3-thiazol-4-yl)amino]-5-propan-2-yloxy-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

517.11414 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 518.12142 222.5
[M+Na]+ 540.10336 230.6
[M-H]- 516.10686 233.6
[M+NH4]+ 535.14796 231.6
[M+K]+ 556.07730 227.7
[M+H-H2O]+ 500.11140 215.2
[M+HCOO]- 562.11234 234.7
[M+CH3COO]- 576.12799 246.0
[M+Na-2H]- 538.08881 221.3
[M]+ 517.11359 233.0
[M]- 517.11469 233.0
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.