CID 16073535

Schembl2835770

Structural Information

Molecular Formula
C21H21FN2O5S
SMILES
CNC(=O)C1=C(OC2=CC(=C(C=C21)C3CCCO3)NS(=O)(=O)C)C4=CC=C(C=C4)F
InChI
InChI=1S/C21H21FN2O5S/c1-23-21(25)19-15-10-14(17-4-3-9-28-17)16(24-30(2,26)27)11-18(15)29-20(19)12-5-7-13(22)8-6-12/h5-8,10-11,17,24H,3-4,9H2,1-2H3,(H,23,25)
InChIKey
HUNLGBJPECPDDR-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-6-(methanesulfonamido)-N-methyl-5-(oxolan-2-yl)-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

432.1155 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.12278 200.0
[M+Na]+ 455.10472 208.4
[M-H]- 431.10822 212.0
[M+NH4]+ 450.14932 211.8
[M+K]+ 471.07866 206.2
[M+H-H2O]+ 415.11276 193.7
[M+HCOO]- 477.11370 216.6
[M+CH3COO]- 491.12935 228.9
[M+Na-2H]- 453.09017 200.8
[M]+ 432.11495 205.4
[M]- 432.11605 205.4
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