CID 481372

((2s)-1-{3-hydroxy-4-[(2-methylpropyl)(phenylsulfonyl)amino]butyl}(2-piperidyl))-n-(tert-butyl)carboxamide

Structural Information

Molecular Formula
C24H41N3O4S
SMILES
CC(C)CN(CC(CCN1CCCC[C@H]1C(=O)NC(C)(C)C)O)S(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C24H41N3O4S/c1-19(2)17-27(32(30,31)21-11-7-6-8-12-21)18-20(28)14-16-26-15-10-9-13-22(26)23(29)25-24(3,4)5/h6-8,11-12,19-20,22,28H,9-10,13-18H2,1-5H3,(H,25,29)/t20?,22-/m0/s1
InChIKey
GHNFRMVWNMWGKZ-IAXKEJLGSA-N
Compound name
(2S)-1-[4-[benzenesulfonyl(2-methylpropyl)amino]-3-hydroxybutyl]-N-tert-butylpiperidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

467.28177 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.28905 211.8
[M+Na]+ 490.27099 209.8
[M-H]- 466.27449 214.3
[M+NH4]+ 485.31559 217.6
[M+K]+ 506.24493 207.6
[M+H-H2O]+ 450.27903 203.0
[M+HCOO]- 512.27997 218.4
[M+CH3COO]- 526.29562 239.1
[M+Na-2H]- 488.25644 209.3
[M]+ 467.28122 211.9
[M]- 467.28232 211.9
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.