CID 16073338

Schembl2839927

Structural Information

Molecular Formula
C17H15FN2O4S
SMILES
CNC(=O)C1=C(OC2=C1C=CC(=C2)NS(=O)(=O)C)C3=CC=C(C=C3)F
InChI
InChI=1S/C17H15FN2O4S/c1-19-17(21)15-13-8-7-12(20-25(2,22)23)9-14(13)24-16(15)10-3-5-11(18)6-4-10/h3-9,20H,1-2H3,(H,19,21)
InChIKey
HRBQGKSZZWACHX-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-6-(methanesulfonamido)-N-methyl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

362.07367 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.08095 180.9
[M+Na]+ 385.06289 191.0
[M-H]- 361.06639 189.3
[M+NH4]+ 380.10749 195.3
[M+K]+ 401.03683 187.3
[M+H-H2O]+ 345.07093 173.3
[M+HCOO]- 407.07187 200.0
[M+CH3COO]- 421.08752 216.3
[M+Na-2H]- 383.04834 185.1
[M]+ 362.07312 186.6
[M]- 362.07422 186.6
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