CID 10319141

2-(4-fluoro-phenyl)-6-(methanesulfonyl-methyl-amino)-5-methoxy-benzofuran-3-carboxylic acid methylamide

Structural Information

Molecular Formula
C19H19FN2O5S
SMILES
CNC(=O)C1=C(OC2=CC(=C(C=C21)OC)N(C)S(=O)(=O)C)C3=CC=C(C=C3)F
InChI
InChI=1S/C19H19FN2O5S/c1-21-19(23)17-13-9-16(26-3)14(22(2)28(4,24)25)10-15(13)27-18(17)11-5-7-12(20)8-6-11/h5-10H,1-4H3,(H,21,23)
InChIKey
BEZRBZISXGCVMU-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-5-methoxy-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

406.09988 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.10716 193.3
[M+Na]+ 429.08910 202.9
[M-H]- 405.09260 203.1
[M+NH4]+ 424.13370 206.5
[M+K]+ 445.06304 201.1
[M+H-H2O]+ 389.09714 185.3
[M+HCOO]- 451.09808 212.2
[M+CH3COO]- 465.11373 228.9
[M+Na-2H]- 427.07455 195.6
[M]+ 406.09933 202.6
[M]- 406.10043 202.6
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