CID 16073237

6-(cyclopropylmethyl-methanesulfonyl-amino)-2-(4-fluoro-phenyl)-5-isopropoxy-benzofuran-3-carboxylic acid methylamide

Structural Information

Molecular Formula
C24H27FN2O5S
SMILES
CC(C)OC1=C(C=C2C(=C1)C(=C(O2)C3=CC=C(C=C3)F)C(=O)NC)N(C)S(=O)(=O)CC4CC4
InChI
InChI=1S/C24H27FN2O5S/c1-14(2)31-21-11-18-20(12-19(21)27(4)33(29,30)13-15-5-6-15)32-23(22(18)24(28)26-3)16-7-9-17(25)10-8-16/h7-12,14-15H,5-6,13H2,1-4H3,(H,26,28)
InChIKey
PKYFGGXZPHVQBC-UHFFFAOYSA-N
Compound name
6-[cyclopropylmethylsulfonyl(methyl)amino]-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxy-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

474.16248 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.16976 202.2
[M+Na]+ 497.15170 210.4
[M-H]- 473.15520 214.1
[M+NH4]+ 492.19630 207.8
[M+K]+ 513.12564 207.1
[M+H-H2O]+ 457.15974 194.4
[M+HCOO]- 519.16068 218.6
[M+CH3COO]- 533.17633 243.4
[M+Na-2H]- 495.13715 202.4
[M]+ 474.16193 213.6
[M]- 474.16303 213.6
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.