CID 478314

N-methyl-n-[3-methyl-2-phenyl-4-(4-phenyl-1-piperidyl)butyl]benzenesulfonamide

Structural Information

Molecular Formula
C29H36N2O2S
SMILES
CC(CN1CCC(CC1)C2=CC=CC=C2)C(CN(C)S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C29H36N2O2S/c1-24(22-31-20-18-26(19-21-31)25-12-6-3-7-13-25)29(27-14-8-4-9-15-27)23-30(2)34(32,33)28-16-10-5-11-17-28/h3-17,24,26,29H,18-23H2,1-2H3
InChIKey
GVJYUYFLDRANKA-UHFFFAOYSA-N
Compound name
N-methyl-N-[3-methyl-2-phenyl-4-(4-phenylpiperidin-1-yl)butyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

476.24976 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.25704 215.1
[M+Na]+ 499.23898 214.9
[M-H]- 475.24248 224.8
[M+NH4]+ 494.28358 220.3
[M+K]+ 515.21292 209.4
[M+H-H2O]+ 459.24702 203.1
[M+HCOO]- 521.24796 225.0
[M+CH3COO]- 535.26361 239.3
[M+Na-2H]- 497.22443 213.6
[M]+ 476.24921 212.8
[M]- 476.25031 212.8
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.