CID 5481721

Schembl8041440

Structural Information

Molecular Formula
C28H33ClN2O2S
SMILES
CN(C[C@@H](CCN1CCCC(C1)C2=CC=CC=C2)C3=CC(=CC=C3)Cl)S(=O)(=O)C4=CC=CC=C4
InChI
InChI=1S/C28H33ClN2O2S/c1-30(34(32,33)28-15-6-3-7-16-28)21-26(24-12-8-14-27(29)20-24)17-19-31-18-9-13-25(22-31)23-10-4-2-5-11-23/h2-8,10-12,14-16,20,25-26H,9,13,17-19,21-22H2,1H3/t25?,26-/m1/s1
InChIKey
BSYOLLNMELLWPP-FXDYGKIASA-N
Compound name
N-[(2S)-2-(3-chlorophenyl)-4-(3-phenylpiperidin-1-yl)butyl]-N-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

496.19513 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.20241 218.3
[M+Na]+ 519.18435 220.5
[M-H]- 495.18785 228.5
[M+NH4]+ 514.22895 224.2
[M+K]+ 535.15829 213.4
[M+H-H2O]+ 479.19239 206.8
[M+HCOO]- 541.19333 225.1
[M+CH3COO]- 555.20898 240.1
[M+Na-2H]- 517.16980 217.1
[M]+ 496.19458 219.3
[M]- 496.19568 219.3
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.