CID 16073393

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

Structural Information

Molecular Formula
C24H22FN3O5S
SMILES
CNC(=O)C1=C(OC2=CC(=C(C=C21)OC)N(CS(=O)(=O)C)C3=CC=NC=C3)C4=CC=C(C=C4)F
InChI
InChI=1S/C24H22FN3O5S/c1-26-24(29)22-18-12-21(32-2)19(28(14-34(3,30)31)17-8-10-27-11-9-17)13-20(18)33-23(22)15-4-6-16(25)7-5-15/h4-13H,14H2,1-3H3,(H,26,29)
InChIKey
WVHGVRLRVGSTRM-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-5-methoxy-N-methyl-6-[methylsulfonylmethyl(pyridin-4-yl)amino]-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

483.12643 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.13371 214.8
[M+Na]+ 506.11565 223.3
[M-H]- 482.11915 226.0
[M+NH4]+ 501.16025 222.7
[M+K]+ 522.08959 220.3
[M+H-H2O]+ 466.12369 204.5
[M+HCOO]- 528.12463 232.0
[M+CH3COO]- 542.14028 242.3
[M+Na-2H]- 504.10110 216.9
[M]+ 483.12588 223.5
[M]- 483.12698 223.5
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.