CID 54687958

Benzenesulfonamide, 4-fluoro-n-[3-(cyclopropyl(4-hydroxy-2-oxo-5,5-dibenzyl-2,5-dihydro-3-furanyl)-methyl)-phenyl]-

Structural Information

Molecular Formula
C34H30FNO5S
SMILES
C1CC1C(C2=CC(=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)F)C4=C(C(OC4=O)(CC5=CC=CC=C5)CC6=CC=CC=C6)O
InChI
InChI=1S/C34H30FNO5S/c35-27-16-18-29(19-17-27)42(39,40)36-28-13-7-12-26(20-28)30(25-14-15-25)31-32(37)34(41-33(31)38,21-23-8-3-1-4-9-23)22-24-10-5-2-6-11-24/h1-13,16-20,25,30,36-37H,14-15,21-22H2
InChIKey
WRZIGXZSJQLYND-UHFFFAOYSA-N
Compound name
N-[3-[cyclopropyl-(5,5-dibenzyl-4-hydroxy-2-oxofuran-3-yl)methyl]phenyl]-4-fluorobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

583.18286 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 584.19014 221.8
[M+Na]+ 606.17208 227.7
[M-H]- 582.17558 237.4
[M+NH4]+ 601.21668 221.5
[M+K]+ 622.14602 223.6
[M+H-H2O]+ 566.18012 212.6
[M+HCOO]- 628.18106 235.0
[M+CH3COO]- 642.19671 228.4
[M+Na-2H]- 604.15753 221.7
[M]+ 583.18231 226.0
[M]- 583.18341 226.0
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

No patent data available for this compound.