CID 16073192

Schembl2835920

Structural Information

Molecular Formula
C20H21FN2O6S
SMILES
CNC(=O)C1=C(OC2=CC(=C(C=C21)OC)N(CCO)S(=O)(=O)C)C3=CC=C(C=C3)F
InChI
InChI=1S/C20H21FN2O6S/c1-22-20(25)18-14-10-17(28-2)15(23(8-9-24)30(3,26)27)11-16(14)29-19(18)12-4-6-13(21)7-5-12/h4-7,10-11,24H,8-9H2,1-3H3,(H,22,25)
InChIKey
DCMMMNPCHRQIMW-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-6-[2-hydroxyethyl(methylsulfonyl)amino]-5-methoxy-N-methyl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

436.11044 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.11772 200.1
[M+Na]+ 459.09966 208.3
[M-H]- 435.10316 208.2
[M+NH4]+ 454.14426 211.2
[M+K]+ 475.07360 206.4
[M+H-H2O]+ 419.10770 191.9
[M+HCOO]- 481.10864 217.3
[M+CH3COO]- 495.12429 232.0
[M+Na-2H]- 457.08511 202.0
[M]+ 436.10989 209.3
[M]- 436.11099 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