CID 478321

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

Structural Information

Molecular Formula
C33H43N3O4S
SMILES
CCN(C1CCN(CC1)C(C)CC(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(33(37)40-26-28-14-8-5-9-15-28)31-20-22-35(23-21-31)27(2)24-30(29-16-10-6-11-17-29)25-34(3)41(38,39)32-18-12-7-13-19-32/h5-19,27,30-31H,4,20-26H2,1-3H3
InChIKey
VBWPDHFGDNWEJZ-UHFFFAOYSA-N
Compound name
benzyl N-[1-[5-[benzenesulfonyl(methyl)amino]-4-phenylpentan-2-yl]piperidin-4-yl]-N-ethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

577.2974 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 578.30468 238.0
[M+Na]+ 600.28662 234.4
[M-H]- 576.29012 248.0
[M+NH4]+ 595.33122 238.8
[M+K]+ 616.26056 231.5
[M+H-H2O]+ 560.29466 225.0
[M+HCOO]- 622.29560 247.4
[M+CH3COO]- 636.31125 261.5
[M+Na-2H]- 598.27207 235.1
[M]+ 577.29685 238.9
[M]- 577.29795 238.9
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.