CID 479868

Chembl91892

Structural Information

Molecular Formula
C30H38N2O2S
SMILES
CC1=CC(=CC(=C1)C(CCN2CCC(CC2)C3=CC=CC=C3)CN(C)S(=O)(=O)C4=CC=CC=C4)C
InChI
InChI=1S/C30H38N2O2S/c1-24-20-25(2)22-29(21-24)28(23-31(3)35(33,34)30-12-8-5-9-13-30)16-19-32-17-14-27(15-18-32)26-10-6-4-7-11-26/h4-13,20-22,27-28H,14-19,23H2,1-3H3
InChIKey
BKTOTQWPSFOSNZ-UHFFFAOYSA-N
Compound name
N-[2-(3,5-dimethylphenyl)-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 220.9
[M+Na]+ 513.25462 222.2
[M-H]- 489.25812 231.0
[M+NH4]+ 508.29922 226.2
[M+K]+ 529.22856 216.0
[M+H-H2O]+ 473.26266 208.6
[M+HCOO]- 535.26360 231.3
[M+CH3COO]- 549.27925 243.8
[M+Na-2H]- 511.24007 218.4
[M]+ 490.26485 220.2
[M]- 490.26595 220.2
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.