CID 16073427

Schembl2841418

Structural Information

Molecular Formula
C19H18F2N2O4S
SMILES
CCN(C1=C(C=C2C(=C1)OC(=C2C(=O)NC)C3=CC=C(C=C3)F)F)S(=O)(=O)C
InChI
InChI=1S/C19H18F2N2O4S/c1-4-23(28(3,25)26)15-10-16-13(9-14(15)21)17(19(24)22-2)18(27-16)11-5-7-12(20)8-6-11/h5-10H,4H2,1-3H3,(H,22,24)
InChIKey
WUGBXEQZPBDNPT-UHFFFAOYSA-N
Compound name
6-[ethyl(methylsulfonyl)amino]-5-fluoro-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

408.09552 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.10280 193.2
[M+Na]+ 431.08474 203.2
[M-H]- 407.08824 201.6
[M+NH4]+ 426.12934 206.4
[M+K]+ 447.05868 200.1
[M+H-H2O]+ 391.09278 184.3
[M+HCOO]- 453.09372 210.8
[M+CH3COO]- 467.10937 229.3
[M+Na-2H]- 429.07019 194.5
[M]+ 408.09497 200.1
[M]- 408.09607 200.1
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