CID 16073193

Schembl2843678

Structural Information

Molecular Formula
C19H19FN2O4S
SMILES
CCC1=CC2=C(C=C1NS(=O)(=O)C)OC(=C2C(=O)NC)C3=CC=C(C=C3)F
InChI
InChI=1S/C19H19FN2O4S/c1-4-11-9-14-16(10-15(11)22-27(3,24)25)26-18(17(14)19(23)21-2)12-5-7-13(20)8-6-12/h5-10,22H,4H2,1-3H3,(H,21,23)
InChIKey
PERWTDWJHRVFPL-UHFFFAOYSA-N
Compound name
5-ethyl-2-(4-fluorophenyl)-6-(methanesulfonamido)-N-methyl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

390.10495 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.11223 190.2
[M+Na]+ 413.09417 200.2
[M-H]- 389.09767 198.6
[M+NH4]+ 408.13877 203.7
[M+K]+ 429.06811 196.1
[M+H-H2O]+ 373.10221 182.5
[M+HCOO]- 435.10315 208.5
[M+CH3COO]- 449.11880 223.6
[M+Na-2H]- 411.07962 192.8
[M]+ 390.10440 196.9
[M]- 390.10550 196.9
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

patents stripe