CID 481175

((3r)oxolan-3-yloxy)-n-(3-{(cyclopentylmethyl)[(4-methoxyphenyl)sulfonyl]amino}-2-hydroxypropyl)-n-benzylcarboxamide

Structural Information

Molecular Formula
C28H38N2O7S
SMILES
COC1=CC=C(C=C1)S(=O)(=O)N(CC2CCCC2)CC(CN(CC3=CC=CC=C3)C(=O)O[C@@H]4CCOC4)O
InChI
InChI=1S/C28H38N2O7S/c1-35-25-11-13-27(14-12-25)38(33,34)30(18-23-9-5-6-10-23)20-24(31)19-29(17-22-7-3-2-4-8-22)28(32)37-26-15-16-36-21-26/h2-4,7-8,11-14,23-24,26,31H,5-6,9-10,15-21H2,1H3/t24?,26-/m1/s1
InChIKey
NYPSSXBUFAYFML-JUERFOTFSA-N
Compound name
[(3R)-oxolan-3-yl] N-benzyl-N-[3-[cyclopentylmethyl-(4-methoxyphenyl)sulfonylamino]-2-hydroxypropyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

546.24 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 547.24728 228.5
[M+Na]+ 569.22922 225.5
[M-H]- 545.23272 241.0
[M+NH4]+ 564.27382 234.1
[M+K]+ 585.20316 226.7
[M+H-H2O]+ 529.23726 220.4
[M+HCOO]- 591.23820 240.9
[M+CH3COO]- 605.25385 248.6
[M+Na-2H]- 567.21467 224.2
[M]+ 546.23945 231.9
[M]- 546.24055 231.9
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.