CID 5275757

Schembl5758268

Structural Information

Molecular Formula
C22H30N2O2S
SMILES
CS(=O)(=O)N(CCCN1CCC(CC1)CC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C22H30N2O2S/c1-27(25,26)24(22-11-6-3-7-12-22)16-8-15-23-17-13-21(14-18-23)19-20-9-4-2-5-10-20/h2-7,9-12,21H,8,13-19H2,1H3
InChIKey
RAHULYFFYNIYBD-UHFFFAOYSA-N
Compound name
N-[3-(4-benzylpiperidin-1-yl)propyl]-N-phenylmethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

386.2028 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.21008 192.9
[M+Na]+ 409.19202 195.4
[M-H]- 385.19552 200.5
[M+NH4]+ 404.23662 202.9
[M+K]+ 425.16596 190.3
[M+H-H2O]+ 369.20006 182.4
[M+HCOO]- 431.20100 206.0
[M+CH3COO]- 445.21665 221.4
[M+Na-2H]- 407.17747 193.9
[M]+ 386.20225 192.3
[M]- 386.20335 192.3
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

patents stripe