CID 16073492

Schembl2872355

Structural Information

Molecular Formula
C23H23FN4O5S
SMILES
CNC(=O)C1=C(OC2=CC(=C(C=C21)OCC3=NC=CN3C)N(C)S(=O)(=O)C)C4=CC=C(C=C4)F
InChI
InChI=1S/C23H23FN4O5S/c1-25-23(29)21-16-11-19(32-13-20-26-9-10-27(20)2)17(28(3)34(4,30)31)12-18(16)33-22(21)14-5-7-15(24)8-6-14/h5-12H,13H2,1-4H3,(H,25,29)
InChIKey
LLNCHVXAXKXLPE-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-N-methyl-5-[(1-methylimidazol-2-yl)methoxy]-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

486.13733 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.14461 215.4
[M+Na]+ 509.12655 225.0
[M-H]- 485.13005 226.6
[M+NH4]+ 504.17115 224.4
[M+K]+ 525.10049 222.5
[M+H-H2O]+ 469.13459 206.8
[M+HCOO]- 531.13553 232.7
[M+CH3COO]- 545.15118 243.0
[M+Na-2H]- 507.11200 214.9
[M]+ 486.13678 225.9
[M]- 486.13788 225.9
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.