CID 16073195

Schembl2839625

Structural Information

Molecular Formula
C21H23FN2O5S
SMILES
CCC1=CC2=C(C=C1N(CCO)S(=O)(=O)C)OC(=C2C(=O)NC)C3=CC=C(C=C3)F
InChI
InChI=1S/C21H23FN2O5S/c1-4-13-11-16-18(12-17(13)24(9-10-25)30(3,27)28)29-20(19(16)21(26)23-2)14-5-7-15(22)8-6-14/h5-8,11-12,25H,4,9-10H2,1-3H3,(H,23,26)
InChIKey
PBJLJZAYLIKMAC-UHFFFAOYSA-N
Compound name
5-ethyl-2-(4-fluorophenyl)-6-[2-hydroxyethyl(methylsulfonyl)amino]-N-methyl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

434.13116 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.13844 202.0
[M+Na]+ 457.12038 210.2
[M-H]- 433.12388 209.9
[M+NH4]+ 452.16498 213.3
[M+K]+ 473.09432 207.2
[M+H-H2O]+ 417.12842 193.8
[M+HCOO]- 479.12936 218.7
[M+CH3COO]- 493.14501 232.6
[M+Na-2H]- 455.10583 203.0
[M]+ 434.13061 210.1
[M]- 434.13171 210.1
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

patents stripe