CID 481320

(2s)-n-tert-butyl-1-[(2r)-2-hydroxy-4-[isobutyl-(4-methoxyphenyl)sulfonyl-amino]butyl]piperidine-2-carboxamide

Structural Information

Molecular Formula
C25H43N3O5S
SMILES
CC(C)CN(CC[C@H](CN1CCCC[C@H]1C(=O)NC(C)(C)C)O)S(=O)(=O)C2=CC=C(C=C2)OC
InChI
InChI=1S/C25H43N3O5S/c1-19(2)17-28(34(31,32)22-12-10-21(33-6)11-13-22)16-14-20(29)18-27-15-8-7-9-23(27)24(30)26-25(3,4)5/h10-13,19-20,23,29H,7-9,14-18H2,1-6H3,(H,26,30)/t20-,23+/m1/s1
InChIKey
OIUJGCCCLQJIBN-OFNKIYASSA-N
Compound name
(2S)-N-tert-butyl-1-[(2R)-2-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]butyl]piperidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

497.29233 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 498.29961 218.4
[M+Na]+ 520.28155 216.4
[M-H]- 496.28505 220.9
[M+NH4]+ 515.32615 223.1
[M+K]+ 536.25549 214.9
[M+H-H2O]+ 480.28959 209.5
[M+HCOO]- 542.29053 224.8
[M+CH3COO]- 556.30618 245.5
[M+Na-2H]- 518.26700 215.3
[M]+ 497.29178 220.6
[M]- 497.29288 220.6
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.