CID 478311

N-methyl-n-[3-phenyl-5-(4-phenyl-1-piperidyl)pentyl]benzenesulfonamide

Structural Information

Molecular Formula
C29H36N2O2S
SMILES
CN(CCC(CCN1CCC(CC1)C2=CC=CC=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4
InChI
InChI=1S/C29H36N2O2S/c1-30(34(32,33)29-15-9-4-10-16-29)21-17-27(25-11-5-2-6-12-25)18-22-31-23-19-28(20-24-31)26-13-7-3-8-14-26/h2-16,27-28H,17-24H2,1H3
InChIKey
PDBDRRSUIKQENM-UHFFFAOYSA-N
Compound name
N-methyl-N-[3-phenyl-5-(4-phenylpiperidin-1-yl)pentyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

476.24976 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.25704 216.0
[M+Na]+ 499.23898 216.1
[M-H]- 475.24248 225.5
[M+NH4]+ 494.28358 221.3
[M+K]+ 515.21292 209.9
[M+H-H2O]+ 459.24702 203.6
[M+HCOO]- 521.24796 226.9
[M+CH3COO]- 535.26361 238.5
[M+Na-2H]- 497.22443 215.3
[M]+ 476.24921 214.1
[M]- 476.25031 214.1
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.