CID 3087545

Brn 5156615

Structural Information

Molecular Formula
C23H30N2O3S
SMILES
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)CCCN2CCC(CC2)CC3=CC=CC=C3
InChI
InChI=1S/C23H30N2O3S/c1-19(26)24-22-8-10-23(11-9-22)29(27,28)17-5-14-25-15-12-21(13-16-25)18-20-6-3-2-4-7-20/h2-4,6-11,21H,5,12-18H2,1H3,(H,24,26)
InChIKey
YBJWYTHKCATNIU-UHFFFAOYSA-N
Compound name
N-[4-[3-(4-benzylpiperidin-1-yl)propylsulfonyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.19772 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.20500 198.3
[M+Na]+ 437.18694 209.1
[M+NH4]+ 432.23154 204.5
[M+K]+ 453.16088 200.1
[M-H]- 413.19044 202.9
[M+Na-2H]- 435.17239 205.7
[M]+ 414.19717 201.5
[M]- 414.19827 201.5
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.