CID 24842502

Nm-592

Structural Information

Molecular Formula
C21H26N2OS
SMILES
C1CCN(CC1)CC(=O)N(CCSC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H26N2OS/c24-21(18-22-14-8-3-9-15-22)23(19-10-4-1-5-11-19)16-17-25-20-12-6-2-7-13-20/h1-2,4-7,10-13H,3,8-9,14-18H2
InChIKey
QYYLOKRKOYGELX-UHFFFAOYSA-N
Compound name
N-phenyl-N-(2-phenylsulfanylethyl)-2-piperidin-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.17657 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.183846 184.5
[M+Na]+ 377.165788 185.9
[M-H]- 353.169294 191.8
[M+NH4]+ 372.210393 195.5
[M+K]+ 393.139728 181.0
[M+H-H2O]+ 337.173830 173.9
[M+HCOO]- 399.174771 198.2
[M+CH3COO]- 413.190421 215.6
[M+Na-2H]- 375.151236 184.7
[M]+ 354.17602142 182.3
[M]- 354.17711858 182.3
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.