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 199.6
[M+Na]+ 437.18694 202.1
[M-H]- 413.19044 206.1
[M+NH4]+ 432.23154 207.9
[M+K]+ 453.16088 196.2
[M+H-H2O]+ 397.19498 189.5
[M+HCOO]- 459.19592 211.3
[M+CH3COO]- 473.21157 223.9
[M+Na-2H]- 435.17239 199.5
[M]+ 414.19717 198.6
[M]- 414.19827 198.6
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.