CID 16073188

5-ethoxy-2-(4-fluoro-phenyl)-6-(methanesulfonyl-methyl-amino)-benzofuran-3-carboxylic acid methylamide

Structural Information

Molecular Formula
C20H21FN2O5S
SMILES
CCOC1=C(C=C2C(=C1)C(=C(O2)C3=CC=C(C=C3)F)C(=O)NC)N(C)S(=O)(=O)C
InChI
InChI=1S/C20H21FN2O5S/c1-5-27-17-10-14-16(11-15(17)23(3)29(4,25)26)28-19(18(14)20(24)22-2)12-6-8-13(21)9-7-12/h6-11H,5H2,1-4H3,(H,22,24)
InChIKey
JWUAQCLETXKURH-UHFFFAOYSA-N
Compound name
5-ethoxy-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

13
Patents

420.1155 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.12278 197.9
[M+Na]+ 443.10472 207.0
[M-H]- 419.10822 207.5
[M+NH4]+ 438.14932 210.5
[M+K]+ 459.07866 205.0
[M+H-H2O]+ 403.11276 189.7
[M+HCOO]- 465.11370 216.4
[M+CH3COO]- 479.12935 231.9
[M+Na-2H]- 441.09017 199.7
[M]+ 420.11495 207.5
[M]- 420.11605 207.5
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