CID 54687955

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

Structural Information

Molecular Formula
C29H34N2O5S
SMILES
CCCC1(C(=C(C(=O)O1)C(C2CCCC2)C3=CC(=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)C#N)O)CCC
InChI
InChI=1S/C29H34N2O5S/c1-3-16-29(17-4-2)27(32)26(28(33)36-29)25(21-8-5-6-9-21)22-10-7-11-23(18-22)31-37(34,35)24-14-12-20(19-30)13-15-24/h7,10-15,18,21,25,31-32H,3-6,8-9,16-17H2,1-2H3
InChIKey
KYAXITNKTQXOBS-UHFFFAOYSA-N
Compound name
4-cyano-N-[3-[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

522.2189 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 523.22618 237.2
[M+Na]+ 545.20812 244.6
[M-H]- 521.21162 246.6
[M+NH4]+ 540.25272 245.3
[M+K]+ 561.18206 237.1
[M+H-H2O]+ 505.21616 223.9
[M+HCOO]- 567.21710 246.2
[M+CH3COO]- 581.23275 247.6
[M+Na-2H]- 543.19357 231.8
[M]+ 522.21835 234.8
[M]- 522.21945 234.8
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.