CID 478310

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

Structural Information

Molecular Formula
C27H32N2O2S
SMILES
CN(CC(CN1CCC(CC1)C2=CC=CC=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4
InChI
InChI=1S/C27H32N2O2S/c1-28(32(30,31)27-15-9-4-10-16-27)21-26(24-13-7-3-8-14-24)22-29-19-17-25(18-20-29)23-11-5-2-6-12-23/h2-16,25-26H,17-22H2,1H3
InChIKey
ASXDCVGCUGRURS-UHFFFAOYSA-N
Compound name
N-methyl-N-[2-phenyl-3-(4-phenylpiperidin-1-yl)propyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.21844 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.22572 207.8
[M+Na]+ 471.20766 208.9
[M-H]- 447.21116 217.8
[M+NH4]+ 466.25226 214.3
[M+K]+ 487.18160 203.1
[M+H-H2O]+ 431.21570 195.9
[M+HCOO]- 493.21664 219.4
[M+CH3COO]- 507.23229 232.8
[M+Na-2H]- 469.19311 208.1
[M]+ 448.21789 205.4
[M]- 448.21899 205.4
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.