CID 481211

N-((2s)-3-{[(tert-butyl)sulfonyl](cyclopentylmethyl)amino}-2-hydroxypropyl)phenyl-n-(2-phenylethyl)carboxamide

Structural Information

Molecular Formula
C28H40N2O4S
SMILES
CC(C)(C)S(=O)(=O)N(CC1CCCC1)C[C@H](CN(CCC2=CC=CC=C2)C(=O)C3=CC=CC=C3)O
InChI
InChI=1S/C28H40N2O4S/c1-28(2,3)35(33,34)30(20-24-14-10-11-15-24)22-26(31)21-29(19-18-23-12-6-4-7-13-23)27(32)25-16-8-5-9-17-25/h4-9,12-13,16-17,24,26,31H,10-11,14-15,18-22H2,1-3H3/t26-/m0/s1
InChIKey
AKKLUNMTIQGXAD-SANMLTNESA-N
Compound name
N-[(2S)-3-[tert-butylsulfonyl(cyclopentylmethyl)amino]-2-hydroxypropyl]-N-(2-phenylethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

500.27087 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.27815 223.2
[M+Na]+ 523.26009 221.2
[M-H]- 499.26359 231.6
[M+NH4]+ 518.30469 230.8
[M+K]+ 539.23403 218.9
[M+H-H2O]+ 483.26813 214.1
[M+HCOO]- 545.26907 234.8
[M+CH3COO]- 559.28472 244.3
[M+Na-2H]- 521.24554 220.5
[M]+ 500.27032 225.3
[M]- 500.27142 225.3
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.