CID 479866

Chembl92791

Structural Information

Molecular Formula
C29H36N2O3S
SMILES
CN(CC(CCN1CCC(CC1)C2=CC=CC=C2)C3=CC=C(C=C3)OC)S(=O)(=O)C4=CC=CC=C4
InChI
InChI=1S/C29H36N2O3S/c1-30(35(32,33)29-11-7-4-8-12-29)23-27(25-13-15-28(34-2)16-14-25)19-22-31-20-17-26(18-21-31)24-9-5-3-6-10-24/h3-16,26-27H,17-23H2,1-2H3
InChIKey
GSCLLRMDSOCVGC-UHFFFAOYSA-N
Compound name
N-[2-(4-methoxyphenyl)-4-(4-phenylpiperidin-1-yl)butyl]-N-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

492.24466 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.25194 219.6
[M+Na]+ 515.23388 220.2
[M-H]- 491.23738 229.5
[M+NH4]+ 510.27848 224.4
[M+K]+ 531.20782 214.9
[M+H-H2O]+ 475.24192 207.2
[M+HCOO]- 537.24286 230.6
[M+CH3COO]- 551.25851 241.7
[M+Na-2H]- 513.21933 218.5
[M]+ 492.24411 219.5
[M]- 492.24521 219.5
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