CID 16073498

Schembl2837654

Structural Information

Molecular Formula
C23H23FN4O5S
SMILES
CNC(=O)C1=C(OC2=CC(=C(C=C21)OCCN3C=CC=N3)N(C)S(=O)(=O)C)C4=CC=C(C=C4)F
InChI
InChI=1S/C23H23FN4O5S/c1-25-23(29)21-17-13-20(32-12-11-28-10-4-9-26-28)18(27(2)34(3,30)31)14-19(17)33-22(21)15-5-7-16(24)8-6-15/h4-10,13-14H,11-12H2,1-3H3,(H,25,29)
InChIKey
JPVGSTYFHSUOBY-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-(2-pyrazol-1-ylethoxy)-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

486.13733 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.14461 214.6
[M+Na]+ 509.12655 223.5
[M-H]- 485.13005 225.5
[M+NH4]+ 504.17115 223.3
[M+K]+ 525.10049 220.9
[M+H-H2O]+ 469.13459 205.7
[M+HCOO]- 531.13553 232.0
[M+CH3COO]- 545.15118 241.6
[M+Na-2H]- 507.11200 214.8
[M]+ 486.13678 224.7
[M]- 486.13788 224.7
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.