CID 16073383

Schembl2836259

Structural Information

Molecular Formula
C20H19FN2O6S
SMILES
CC(=O)N(C1=C(C=C2C(=C1)OC(=C2C(=O)NC)C3=CC=C(C=C3)F)OC)S(=O)(=O)C
InChI
InChI=1S/C20H19FN2O6S/c1-11(24)23(30(4,26)27)15-10-16-14(9-17(15)28-3)18(20(25)22-2)19(29-16)12-5-7-13(21)8-6-12/h5-10H,1-4H3,(H,22,25)
InChIKey
BYVPAKLHSZBTSR-UHFFFAOYSA-N
Compound name
6-[acetyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-5-methoxy-N-methyl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

434.0948 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.10208 199.7
[M+Na]+ 457.08402 208.3
[M-H]- 433.08752 209.3
[M+NH4]+ 452.12862 211.4
[M+K]+ 473.05796 207.2
[M+H-H2O]+ 417.09206 191.6
[M+HCOO]- 479.09300 217.5
[M+CH3COO]- 493.10865 233.7
[M+Na-2H]- 455.06947 200.9
[M]+ 434.09425 209.3
[M]- 434.09535 209.3
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