CID 479869

[2-(2h-benzo[d]1,3-dioxolan-5-yl)-4-(4-phenylpiperidyl)butyl]methyl(phenylsulfonyl)amine

Structural Information

Molecular Formula
C29H34N2O4S
SMILES
CN(CC(CCN1CCC(CC1)C2=CC=CC=C2)C3=CC4=C(C=C3)OCO4)S(=O)(=O)C5=CC=CC=C5
InChI
InChI=1S/C29H34N2O4S/c1-30(36(32,33)27-10-6-3-7-11-27)21-26(25-12-13-28-29(20-25)35-22-34-28)16-19-31-17-14-24(15-18-31)23-8-4-2-5-9-23/h2-13,20,24,26H,14-19,21-22H2,1H3
InChIKey
PPRARFATQIRNJH-UHFFFAOYSA-N
Compound name
N-[2-(1,3-benzodioxol-5-yl)-4-(4-phenylpiperidin-1-yl)butyl]-N-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

506.22394 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.23122 220.3
[M+Na]+ 529.21316 221.8
[M-H]- 505.21666 232.8
[M+NH4]+ 524.25776 224.8
[M+K]+ 545.18710 219.7
[M+H-H2O]+ 489.22120 210.1
[M+HCOO]- 551.22214 229.4
[M+CH3COO]- 565.23779 226.5
[M+Na-2H]- 527.19861 219.6
[M]+ 506.22339 221.3
[M]- 506.22449 221.3
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.