CID 467037

Benzyl n-[1-[(3r)-4-[benzenesulfonyl(methyl)amino]-3-methyl-3-phenyl-butyl]-4-piperidyl]-n-ethyl-carbamate

Structural Information

Molecular Formula
C33H43N3O4S
SMILES
CCN(C1CCN(CC1)CC[C@@](C)(CN(C)S(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4
InChI
InChI=1S/C33H43N3O4S/c1-4-36(32(37)40-26-28-14-8-5-9-15-28)30-20-23-35(24-21-30)25-22-33(2,29-16-10-6-11-17-29)27-34(3)41(38,39)31-18-12-7-13-19-31/h5-19,30H,4,20-27H2,1-3H3/t33-/m0/s1
InChIKey
XUHBIUZZLPCVQP-XIFFEERXSA-N
Compound name
benzyl N-[1-[(3R)-4-[benzenesulfonyl(methyl)amino]-3-methyl-3-phenylbutyl]piperidin-4-yl]-N-ethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

577.2974 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 578.30468 238.5
[M+Na]+ 600.28662 236.0
[M-H]- 576.29012 248.7
[M+NH4]+ 595.33122 239.6
[M+K]+ 616.26056 232.5
[M+H-H2O]+ 560.29466 225.5
[M+HCOO]- 622.29560 248.5
[M+CH3COO]- 636.31125 260.3
[M+Na-2H]- 598.27207 238.7
[M]+ 577.29685 239.9
[M]- 577.29795 239.9
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.