CID 482216

2-naphthyl[4-(4-phenylpiperidyl)butyl](phenylsulfonyl)amine

Structural Information

Molecular Formula
C31H34N2O2S
SMILES
C1CN(CCC1C2=CC=CC=C2)CCCCN(C3=CC4=CC=CC=C4C=C3)S(=O)(=O)C5=CC=CC=C5
InChI
InChI=1S/C31H34N2O2S/c34-36(35,31-15-5-2-6-16-31)33(30-18-17-27-13-7-8-14-29(27)25-30)22-10-9-21-32-23-19-28(20-24-32)26-11-3-1-4-12-26/h1-8,11-18,25,28H,9-10,19-24H2
InChIKey
OWUWIRBMTBPAIU-UHFFFAOYSA-N
Compound name
N-naphthalen-2-yl-N-[4-(4-phenylpiperidin-1-yl)butyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

498.2341 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.24138 220.5
[M+Na]+ 521.22332 222.1
[M-H]- 497.22682 230.7
[M+NH4]+ 516.26792 225.8
[M+K]+ 537.19726 214.8
[M+H-H2O]+ 481.23136 207.5
[M+HCOO]- 543.23230 231.2
[M+CH3COO]- 557.24795 225.8
[M+Na-2H]- 519.20877 222.3
[M]+ 498.23355 218.7
[M]- 498.23465 218.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.