CID 54691231

4-cyano-n-[2-cyclopentyl-5-[cyclopentyl-(4-hydroxy-2-oxo-5,5-dipropyl-3-furyl)methyl]phenyl]benzenesulfonamide

Structural Information

Molecular Formula
C34H42N2O5S
SMILES
CCCC1(C(=C(C(=O)O1)C(C2CCCC2)C3=CC(=C(C=C3)C4CCCC4)NS(=O)(=O)C5=CC=C(C=C5)C#N)O)CCC
InChI
InChI=1S/C34H42N2O5S/c1-3-19-34(20-4-2)32(37)31(33(38)41-34)30(25-11-7-8-12-25)26-15-18-28(24-9-5-6-10-24)29(21-26)36-42(39,40)27-16-13-23(22-35)14-17-27/h13-18,21,24-25,30,36-37H,3-12,19-20H2,1-2H3
InChIKey
UZRNYSFCOHTWQD-UHFFFAOYSA-N
Compound name
4-cyano-N-[2-cyclopentyl-5-[cyclopentyl-(4-hydroxy-2-oxo-5,5-dipropylfuran-3-yl)methyl]phenyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

590.28143 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 591.28871 252.5
[M+Na]+ 613.27065 258.4
[M-H]- 589.27415 264.0
[M+NH4]+ 608.31525 259.6
[M+K]+ 629.24459 249.9
[M+H-H2O]+ 573.27869 240.3
[M+HCOO]- 635.27963 259.6
[M+CH3COO]- 649.29528 258.4
[M+Na-2H]- 611.25610 243.2
[M]+ 590.28088 248.5
[M]- 590.28198 248.5
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.