CID 16073512

691856-35-6

Structural Information

Molecular Formula
C20H19FN2O4S
SMILES
CNC(=O)C1=C(OC2=CC(=C(C=C21)C3CC3)NS(=O)(=O)C)C4=CC=C(C=C4)F
InChI
InChI=1S/C20H19FN2O4S/c1-22-20(24)18-15-9-14(11-3-4-11)16(23-28(2,25)26)10-17(15)27-19(18)12-5-7-13(21)8-6-12/h5-11,23H,3-4H2,1-2H3,(H,22,24)
InChIKey
NFEQVLKWQSHXJM-UHFFFAOYSA-N
Compound name
5-cyclopropyl-2-(4-fluorophenyl)-6-(methanesulfonamido)-N-methyl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

402.10495 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.11223 182.3
[M+Na]+ 425.09417 193.1
[M-H]- 401.09767 193.7
[M+NH4]+ 420.13877 190.5
[M+K]+ 441.06811 187.9
[M+H-H2O]+ 385.10221 175.1
[M+HCOO]- 447.10315 200.5
[M+CH3COO]- 461.11880 226.4
[M+Na-2H]- 423.07962 185.5
[M]+ 402.10440 190.5
[M]- 402.10550 190.5
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