CID 16073401

Schembl2843867

Structural Information

Molecular Formula
C20H20F2N2O5S
SMILES
CNC(=O)C1=C(OC2=CC(=C(C=C21)OC)N(CCF)S(=O)(=O)C)C3=CC=C(C=C3)F
InChI
InChI=1S/C20H20F2N2O5S/c1-23-20(25)18-14-10-17(28-2)15(24(9-8-21)30(3,26)27)11-16(14)29-19(18)12-4-6-13(22)7-5-12/h4-7,10-11H,8-9H2,1-3H3,(H,23,25)
InChIKey
ZKZCFHUIXQEVPY-UHFFFAOYSA-N
Compound name
6-[2-fluoroethyl(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

438.1061 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.11338 200.6
[M+Na]+ 461.09532 209.8
[M-H]- 437.09882 208.7
[M+NH4]+ 456.13992 212.4
[M+K]+ 477.06926 207.3
[M+H-H2O]+ 421.10336 191.4
[M+HCOO]- 483.10430 218.1
[M+CH3COO]- 497.11995 234.4
[M+Na-2H]- 459.08077 201.8
[M]+ 438.10555 209.2
[M]- 438.10665 209.2
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