CID 481224

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

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)CC4CCOC4
InChI
InChI=1S/C29H40N2O5S/c32-28(21-31(19-25-11-7-8-12-25)37(34,35)23-26-16-18-36-22-26)20-30(17-15-24-9-3-1-4-10-24)29(33)27-13-5-2-6-14-27/h1-6,9-10,13-14,25-26,28,32H,7-8,11-12,15-23H2/t26?,28-/m0/s1
InChIKey
LESQYJKFDBVBFN-RXBHZZDJSA-N
Compound name
N-[(2S)-3-[cyclopentylmethyl(oxolan-3-ylmethylsulfonyl)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

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 529.27308 228.1
[M+Na]+ 551.25502 224.6
[M-H]- 527.25852 240.0
[M+NH4]+ 546.29962 234.4
[M+K]+ 567.22896 223.8
[M+H-H2O]+ 511.26306 219.6
[M+HCOO]- 573.26400 239.9
[M+CH3COO]- 587.27965 246.4
[M+Na-2H]- 549.24047 222.8
[M]+ 528.26525 228.8
[M]- 528.26635 228.8
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.