CID 16073448

Schembl2842315

Structural Information

Molecular Formula
C20H19FN2O6S
SMILES
CC(=O)CN(C1=C(C=C2C(=C1)OC(=C2C(=O)NC)C3=CC=C(C=C3)F)O)S(=O)(=O)C
InChI
InChI=1S/C20H19FN2O6S/c1-11(24)10-23(30(3,27)28)15-9-17-14(8-16(15)25)18(20(26)22-2)19(29-17)12-4-6-13(21)7-5-12/h4-9,25H,10H2,1-3H3,(H,22,26)
InChIKey
KQSKZPRFOAPFBS-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-5-hydroxy-N-methyl-6-[methylsulfonyl(2-oxopropyl)amino]-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

434.0948 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.10208 199.1
[M+Na]+ 457.08402 207.2
[M-H]- 433.08752 207.2
[M+NH4]+ 452.12862 210.0
[M+K]+ 473.05796 205.3
[M+H-H2O]+ 417.09206 191.2
[M+HCOO]- 479.09300 215.4
[M+CH3COO]- 493.10865 232.3
[M+Na-2H]- 455.06947 200.0
[M]+ 434.09425 207.0
[M]- 434.09535 207.0
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