CID 481321

N-tert-butyl-2-[(2r)-2-hydroxy-4-[isobutyl-(4-methoxyphenyl)sulfonyl-amino]butyl]benzamide

Structural Information

Molecular Formula
C26H38N2O5S
SMILES
CC(C)CN(CC[C@@H](CC1=CC=CC=C1C(=O)NC(C)(C)C)O)S(=O)(=O)C2=CC=C(C=C2)OC
InChI
InChI=1S/C26H38N2O5S/c1-19(2)18-28(34(31,32)23-13-11-22(33-6)12-14-23)16-15-21(29)17-20-9-7-8-10-24(20)25(30)27-26(3,4)5/h7-14,19,21,29H,15-18H2,1-6H3,(H,27,30)/t21-/m0/s1
InChIKey
NJRJWYNAWGGGOI-NRFANRHFSA-N
Compound name
N-tert-butyl-2-[(2R)-2-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]butyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

490.25015 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.25743 218.8
[M+Na]+ 513.23937 219.3
[M-H]- 489.24287 223.7
[M+NH4]+ 508.28397 225.2
[M+K]+ 529.21331 217.0
[M+H-H2O]+ 473.24741 209.6
[M+HCOO]- 535.24835 230.2
[M+CH3COO]- 549.26400 244.5
[M+Na-2H]- 511.22482 217.0
[M]+ 490.24960 224.8
[M]- 490.25070 224.8
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.