CID 481213

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

Structural Information

Molecular Formula
C29H40N2O4S
SMILES
C1CCC(C1)CN(C[C@H](CN(CCC2=CC=CC=C2)C(=O)C3=CC=CC=C3)O)S(=O)(=O)C4CCCC4
InChI
InChI=1S/C29H40N2O4S/c32-27(23-31(21-25-13-7-8-14-25)36(34,35)28-17-9-10-18-28)22-30(20-19-24-11-3-1-4-12-24)29(33)26-15-5-2-6-16-26/h1-6,11-12,15-16,25,27-28,32H,7-10,13-14,17-23H2/t27-/m0/s1
InChIKey
TZCRYUOBNURKOL-MHZLTWQESA-N
Compound name
N-[(2S)-3-[cyclopentylmethyl(cyclopentylsulfonyl)amino]-2-hydroxypropyl]-N-(2-phenylethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

512.2709 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.27818 225.4
[M+Na]+ 535.26012 221.9
[M-H]- 511.26362 236.6
[M+NH4]+ 530.30472 233.7
[M+K]+ 551.23406 219.5
[M+H-H2O]+ 495.26816 216.5
[M+HCOO]- 557.26910 237.7
[M+CH3COO]- 571.28475 244.0
[M+Na-2H]- 533.24557 219.2
[M]+ 512.27035 224.2
[M]- 512.27145 224.2
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.