CID 16073489

Schembl2836264

Structural Information

Molecular Formula
C20H18FN3O5S
SMILES
CNC(=O)C1=C(OC2=CC(=C(C=C21)OCC#N)N(C)S(=O)(=O)C)C3=CC=C(C=C3)F
InChI
InChI=1S/C20H18FN3O5S/c1-23-20(25)18-14-10-17(28-9-8-22)15(24(2)30(3,26)27)11-16(14)29-19(18)12-4-6-13(21)7-5-12/h4-7,10-11H,9H2,1-3H3,(H,23,25)
InChIKey
XLNCQJIGKFCZBA-UHFFFAOYSA-N
Compound name
5-(cyanomethoxy)-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

10
Patents

431.09512 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.10240 211.2
[M+Na]+ 454.08434 222.1
[M-H]- 430.08784 218.5
[M+NH4]+ 449.12894 221.5
[M+K]+ 470.05828 218.5
[M+H-H2O]+ 414.09238 196.0
[M+HCOO]- 476.09332 225.7
[M+CH3COO]- 490.10897 239.8
[M+Na-2H]- 452.06979 211.3
[M]+ 431.09457 213.9
[M]- 431.09567 213.9
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