CID 16074383

N-(cyclopentylmethyl)-n-[(2s)-3-[(2r,5s)-2,5-dibenzyl-3-oxo-morpholin-4-yl]-2-hydroxy-propyl]-4-methoxy-benzenesulfonamide

Structural Information

Molecular Formula
C34H42N2O6S
SMILES
COC1=CC=C(C=C1)S(=O)(=O)N(CC2CCCC2)C[C@H](CN3[C@H](CO[C@@H](C3=O)CC4=CC=CC=C4)CC5=CC=CC=C5)O
InChI
InChI=1S/C34H42N2O6S/c1-41-31-16-18-32(19-17-31)43(39,40)35(22-28-14-8-9-15-28)23-30(37)24-36-29(20-26-10-4-2-5-11-26)25-42-33(34(36)38)21-27-12-6-3-7-13-27/h2-7,10-13,16-19,28-30,33,37H,8-9,14-15,20-25H2,1H3/t29-,30+,33+/m0/s1
InChIKey
DESRIHHDJCUSEM-AARCXHMLSA-N
Compound name
N-(cyclopentylmethyl)-N-[(2S)-3-[(2R,5S)-2,5-dibenzyl-3-oxomorpholin-4-yl]-2-hydroxypropyl]-4-methoxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

606.27637 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 607.28365 243.4
[M+Na]+ 629.26559 241.8
[M-H]- 605.26909 255.6
[M+NH4]+ 624.31019 242.9
[M+K]+ 645.23953 238.8
[M+H-H2O]+ 589.27363 232.0
[M+HCOO]- 651.27457 250.7
[M+CH3COO]- 665.29022 259.1
[M+Na-2H]- 627.25104 238.3
[M]+ 606.27582 243.8
[M]- 606.27692 243.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.