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

literature stripe

Patent stripe

patents stripe