CID 481210

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

Structural Information

Molecular Formula
C30H42N2O4S
SMILES
C1CCC(CC1)S(=O)(=O)N(CC2CCCC2)C[C@H](CN(CCC3=CC=CC=C3)C(=O)C4=CC=CC=C4)O
InChI
InChI=1S/C30H42N2O4S/c33-28(24-32(22-26-14-10-11-15-26)37(35,36)29-18-8-3-9-19-29)23-31(21-20-25-12-4-1-5-13-25)30(34)27-16-6-2-7-17-27/h1-2,4-7,12-13,16-17,26,28-29,33H,3,8-11,14-15,18-24H2/t28-/m0/s1
InChIKey
MCKZHQDWPXVDEQ-NDEPHWFRSA-N
Compound name
N-[(2S)-3-[cyclohexylsulfonyl(cyclopentylmethyl)amino]-2-hydroxypropyl]-N-(2-phenylethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

526.2865 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 527.29378 226.0
[M+Na]+ 549.27572 221.0
[M-H]- 525.27922 235.9
[M+NH4]+ 544.32032 231.5
[M+K]+ 565.24966 218.1
[M+H-H2O]+ 509.28376 215.8
[M+HCOO]- 571.28470 235.6
[M+CH3COO]- 585.30035 247.6
[M+Na-2H]- 547.26117 221.0
[M]+ 526.28595 222.6
[M]- 526.28705 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.