CID 479859

Chembl90141

Structural Information

Molecular Formula
C30H38N2O2S
SMILES
CCC1=CC(=CC=C1)C(CCN2CCC(CC2)C3=CC=CC=C3)CN(C)S(=O)(=O)C4=CC=CC=C4
InChI
InChI=1S/C30H38N2O2S/c1-3-25-11-10-14-28(23-25)29(24-31(2)35(33,34)30-15-8-5-9-16-30)19-22-32-20-17-27(18-21-32)26-12-6-4-7-13-26/h4-16,23,27,29H,3,17-22,24H2,1-2H3
InChIKey
DVWBDZAUHCXGNF-UHFFFAOYSA-N
Compound name
N-[2-(3-ethylphenyl)-4-(4-phenylpiperidin-1-yl)butyl]-N-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

490.2654 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.27268 220.5
[M+Na]+ 513.25462 221.0
[M-H]- 489.25812 230.3
[M+NH4]+ 508.29922 225.5
[M+K]+ 529.22856 214.7
[M+H-H2O]+ 473.26266 208.1
[M+HCOO]- 535.26360 231.0
[M+CH3COO]- 549.27925 242.5
[M+Na-2H]- 511.24007 218.7
[M]+ 490.26485 219.4
[M]- 490.26595 219.4
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.