CID 478309

N-methyl-n-[2-phenyl-2-(4-phenyl-1-piperidyl)ethyl]benzenesulfonamide

Structural Information

Molecular Formula
C26H30N2O2S
SMILES
CN(CC(C1=CC=CC=C1)N2CCC(CC2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4
InChI
InChI=1S/C26H30N2O2S/c1-27(31(29,30)25-15-9-4-10-16-25)21-26(24-13-7-3-8-14-24)28-19-17-23(18-20-28)22-11-5-2-6-12-22/h2-16,23,26H,17-21H2,1H3
InChIKey
ZKJWOIDEMDJLGT-UHFFFAOYSA-N
Compound name
N-methyl-N-[2-phenyl-2-(4-phenylpiperidin-1-yl)ethyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.2028 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.21008 203.7
[M+Na]+ 457.19202 205.2
[M-H]- 433.19552 213.9
[M+NH4]+ 452.23662 210.8
[M+K]+ 473.16596 199.6
[M+H-H2O]+ 417.20006 192.0
[M+HCOO]- 479.20100 215.6
[M+CH3COO]- 493.21665 210.4
[M+Na-2H]- 455.17747 204.4
[M]+ 434.20225 201.0
[M]- 434.20335 201.0
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.