CID 472339

(5r)-1-(3-{(cyclopentylmethyl)[(4-methoxyphenyl)sulfonyl]amino}-2-hydroxypropyl)-3-methyl-5-benzylpyrrolidin-2-one

Structural Information

Molecular Formula
C28H38N2O5S
SMILES
CC1C[C@@H](N(C1=O)CC(CN(CC2CCCC2)S(=O)(=O)C3=CC=C(C=C3)OC)O)CC4=CC=CC=C4
InChI
InChI=1S/C28H38N2O5S/c1-21-16-24(17-22-8-4-3-5-9-22)30(28(21)32)20-25(31)19-29(18-23-10-6-7-11-23)36(33,34)27-14-12-26(35-2)13-15-27/h3-5,8-9,12-15,21,23-25,31H,6-7,10-11,16-20H2,1-2H3/t21?,24-,25?/m1/s1
InChIKey
HCFOFRUOXPQDQT-OOAAYMRMSA-N
Compound name
N-[3-[(5R)-5-benzyl-3-methyl-2-oxopyrrolidin-1-yl]-2-hydroxypropyl]-N-(cyclopentylmethyl)-4-methoxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

514.2501 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 515.25738 224.9
[M+Na]+ 537.23932 225.9
[M-H]- 513.24282 235.3
[M+NH4]+ 532.28392 232.7
[M+K]+ 553.21326 222.4
[M+H-H2O]+ 497.24736 216.5
[M+HCOO]- 559.24830 236.0
[M+CH3COO]- 573.26395 242.6
[M+Na-2H]- 535.22477 217.7
[M]+ 514.24955 227.0
[M]- 514.25065 227.0
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.