CID 478308

Chembl327484

Structural Information

Molecular Formula
C28H34N2O2S
SMILES
CN(CC(CCN1CCC(CC1)C2=CC=CC=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4
InChI
InChI=1S/C28H34N2O2S/c1-29(33(31,32)28-15-9-4-10-16-28)23-27(25-13-7-3-8-14-25)19-22-30-20-17-26(18-21-30)24-11-5-2-6-12-24/h2-16,26-27H,17-23H2,1H3
InChIKey
UETIGXLCWMKVCO-UHFFFAOYSA-N
Compound name
N-methyl-N-[2-phenyl-4-(4-phenylpiperidin-1-yl)butyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

462.2341 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.24138 211.9
[M+Na]+ 485.22332 212.5
[M-H]- 461.22682 221.7
[M+NH4]+ 480.26792 217.8
[M+K]+ 501.19726 206.5
[M+H-H2O]+ 445.23136 199.8
[M+HCOO]- 507.23230 223.1
[M+CH3COO]- 521.24795 235.6
[M+Na-2H]- 483.20877 211.7
[M]+ 462.23355 209.8
[M]- 462.23465 209.8
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.