CID 54687965

4-cyano-n-[3-[1-(5,5-dibenzyl-4-hydroxy-2-oxo-3-furyl)-2,2-dimethyl-propyl]phenyl]benzenesulfonamide

Structural Information

Molecular Formula
C36H34N2O5S
SMILES
CC(C)(C)C(C1=CC(=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)C#N)C3=C(C(OC3=O)(CC4=CC=CC=C4)CC5=CC=CC=C5)O
InChI
InChI=1S/C36H34N2O5S/c1-35(2,3)32(28-15-10-16-29(21-28)38-44(41,42)30-19-17-27(24-37)18-20-30)31-33(39)36(43-34(31)40,22-25-11-6-4-7-12-25)23-26-13-8-5-9-14-26/h4-21,32,38-39H,22-23H2,1-3H3
InChIKey
BNYXWIKJIVWSOM-UHFFFAOYSA-N
Compound name
4-cyano-N-[3-[1-(5,5-dibenzyl-4-hydroxy-2-oxofuran-3-yl)-2,2-dimethylpropyl]phenyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

606.2189 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 607.22618 266.2
[M+Na]+ 629.20812 273.7
[M-H]- 605.21162 277.0
[M+NH4]+ 624.25272 268.5
[M+K]+ 645.18206 265.3
[M+H-H2O]+ 589.21616 249.7
[M+HCOO]- 651.21710 273.8
[M+CH3COO]- 665.23275 261.3
[M+Na-2H]- 627.19357 263.4
[M]+ 606.21835 263.5
[M]- 606.21945 263.5
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

No patent data available for this compound.