CID 477370

N-[3-[(5r)-5-benzyl-2-oxo-3-(tetrahydrofuran-2-ylmethyl)pyrrolidin-1-yl]-2-hydroxy-propyl]-n-(cyclopentylmethyl)-4-methoxy-benzenesulfonamide

Structural Information

Molecular Formula
C32H44N2O6S
SMILES
COC1=CC=C(C=C1)S(=O)(=O)N(CC2CCCC2)CC(CN3[C@H](CC(C3=O)CC4CCCO4)CC5=CC=CC=C5)O
InChI
InChI=1S/C32H44N2O6S/c1-39-29-13-15-31(16-14-29)41(37,38)33(21-25-10-5-6-11-25)22-28(35)23-34-27(18-24-8-3-2-4-9-24)19-26(32(34)36)20-30-12-7-17-40-30/h2-4,8-9,13-16,25-28,30,35H,5-7,10-12,17-23H2,1H3/t26?,27-,28?,30?/m0/s1
InChIKey
CVIWUZFFFRWJSN-HGKYQUNQSA-N
Compound name
N-[3-[(5R)-5-benzyl-2-oxo-3-(oxolan-2-ylmethyl)pyrrolidin-1-yl]-2-hydroxypropyl]-N-(cyclopentylmethyl)-4-methoxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

584.292 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 585.29928 238.4
[M+Na]+ 607.28122 236.8
[M-H]- 583.28472 252.2
[M+NH4]+ 602.32582 243.3
[M+K]+ 623.25516 235.4
[M+H-H2O]+ 567.28926 231.6
[M+HCOO]- 629.29020 247.2
[M+CH3COO]- 643.30585 253.1
[M+Na-2H]- 605.26667 228.6
[M]+ 584.29145 239.7
[M]- 584.29255 239.7
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.