CID 508799

N-[[1-[(4-chlorophenyl)methyl]-4-piperidyl]methyl]-2-(p-tolylsulfonyl)acetamide

Structural Information

Molecular Formula
C22H27ClN2O3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)CC(=O)NCC2CCN(CC2)CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C22H27ClN2O3S/c1-17-2-8-21(9-3-17)29(27,28)16-22(26)24-14-18-10-12-25(13-11-18)15-19-4-6-20(23)7-5-19/h2-9,18H,10-16H2,1H3,(H,24,26)
InChIKey
CHPLGZIXQZUXOS-UHFFFAOYSA-N
Compound name
N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-(4-methylphenyl)sulfonylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.1431 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.15038 201.6
[M+Na]+ 457.13232 206.1
[M-H]- 433.13582 208.7
[M+NH4]+ 452.17692 210.4
[M+K]+ 473.10626 199.1
[M+H-H2O]+ 417.14036 192.6
[M+HCOO]- 479.14130 209.1
[M+CH3COO]- 493.15695 225.6
[M+Na-2H]- 455.11777 200.9
[M]+ 434.14255 203.1
[M]- 434.14365 203.1
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.