CID 478316

N-[3,3-dimethyl-2-phenyl-4-(4-phenyl-1-piperidyl)butyl]-n-methyl-benzenesulfonamide

Structural Information

Molecular Formula
C30H38N2O2S
SMILES
CC(C)(CN1CCC(CC1)C2=CC=CC=C2)C(CN(C)S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C30H38N2O2S/c1-30(2,24-32-21-19-26(20-22-32)25-13-7-4-8-14-25)29(27-15-9-5-10-16-27)23-31(3)35(33,34)28-17-11-6-12-18-28/h4-18,26,29H,19-24H2,1-3H3
InChIKey
UGTXOMZVNKPJGB-UHFFFAOYSA-N
Compound name
N-[3,3-dimethyl-2-phenyl-4-(4-phenylpiperidin-1-yl)butyl]-N-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

490.2654 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.27268 219.0
[M+Na]+ 513.25462 219.0
[M-H]- 489.25812 228.6
[M+NH4]+ 508.29922 223.8
[M+K]+ 529.22856 213.4
[M+H-H2O]+ 473.26266 207.0
[M+HCOO]- 535.26360 228.0
[M+CH3COO]- 549.27925 241.8
[M+Na-2H]- 511.24007 219.2
[M]+ 490.26485 217.1
[M]- 490.26595 217.1
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.