CID 481207

N-((2s)-3-{(cyclopentylmethyl)[(4-methoxyphenyl)sulfonyl]amino}-2-hydroxypropyl)-n-(2-phenylethyl)acetamide

Structural Information

Molecular Formula
C26H36N2O5S
SMILES
CC(=O)N(CCC1=CC=CC=C1)C[C@@H](CN(CC2CCCC2)S(=O)(=O)C3=CC=C(C=C3)OC)O
InChI
InChI=1S/C26H36N2O5S/c1-21(29)27(17-16-22-8-4-3-5-9-22)19-24(30)20-28(18-23-10-6-7-11-23)34(31,32)26-14-12-25(33-2)13-15-26/h3-5,8-9,12-15,23-24,30H,6-7,10-11,16-20H2,1-2H3/t24-/m0/s1
InChIKey
OHAMJKBNOKUBGL-DEOSSOPVSA-N
Compound name
N-[(2S)-3-[cyclopentylmethyl-(4-methoxyphenyl)sulfonylamino]-2-hydroxypropyl]-N-(2-phenylethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

488.2345 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.24178 218.8
[M+Na]+ 511.22372 217.9
[M-H]- 487.22722 227.7
[M+NH4]+ 506.26832 226.9
[M+K]+ 527.19766 216.0
[M+H-H2O]+ 471.23176 209.4
[M+HCOO]- 533.23270 232.8
[M+CH3COO]- 547.24835 242.2
[M+Na-2H]- 509.20917 215.3
[M]+ 488.23395 222.6
[M]- 488.23505 222.6
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.