CID 481214

N-[(2s)-3-[cyclopentylmethyl(tetrahydropyran-3-ylsulfonyl)amino]-2-hydroxy-propyl]-n-phenethyl-benzamide

Structural Information

Molecular Formula
C29H40N2O5S
SMILES
C1CCC(C1)CN(C[C@H](CN(CCC2=CC=CC=C2)C(=O)C3=CC=CC=C3)O)S(=O)(=O)C4CCCOC4
InChI
InChI=1S/C29H40N2O5S/c32-27(22-31(20-25-12-7-8-13-25)37(34,35)28-16-9-19-36-23-28)21-30(18-17-24-10-3-1-4-11-24)29(33)26-14-5-2-6-15-26/h1-6,10-11,14-15,25,27-28,32H,7-9,12-13,16-23H2/t27-,28?/m0/s1
InChIKey
GDWCGUJXOZZIEJ-MBMZGMDYSA-N
Compound name
N-[(2S)-3-[cyclopentylmethyl(oxan-3-ylsulfonyl)amino]-2-hydroxypropyl]-N-(2-phenylethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

528.2658 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 529.27308 225.2
[M+Na]+ 551.25502 220.7
[M-H]- 527.25852 236.0
[M+NH4]+ 546.29962 229.3
[M+K]+ 567.22896 219.6
[M+H-H2O]+ 511.26306 215.3
[M+HCOO]- 573.26400 234.6
[M+CH3COO]- 587.27965 247.2
[M+Na-2H]- 549.24047 221.6
[M]+ 528.26525 223.3
[M]- 528.26635 223.3
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.