CID 16073194

Schembl2843904

Structural Information

Molecular Formula
C20H21FN2O4S
SMILES
CCC1=CC2=C(C=C1N(C)S(=O)(=O)C)OC(=C2C(=O)NC)C3=CC=C(C=C3)F
InChI
InChI=1S/C20H21FN2O4S/c1-5-12-10-15-17(11-16(12)23(3)28(4,25)26)27-19(18(15)20(24)22-2)13-6-8-14(21)9-7-13/h6-11H,5H2,1-4H3,(H,22,24)
InChIKey
MEQSSYFETYCHJG-UHFFFAOYSA-N
Compound name
5-ethyl-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

404.1206 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.12788 195.0
[M+Na]+ 427.10982 204.5
[M-H]- 403.11332 204.6
[M+NH4]+ 422.15442 208.4
[M+K]+ 443.08376 201.8
[M+H-H2O]+ 387.11786 186.9
[M+HCOO]- 449.11880 213.4
[M+CH3COO]- 463.13445 229.6
[M+Na-2H]- 425.09527 196.4
[M]+ 404.12005 203.2
[M]- 404.12115 203.2
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