CID 24842497

Nm-589

Structural Information

Molecular Formula
C21H25ClN2OS
SMILES
C1CCN(CC1)CC(=O)N(CCSC2=CC=C(C=C2)Cl)C3=CC=CC=C3
InChI
InChI=1S/C21H25ClN2OS/c22-18-9-11-20(12-10-18)26-16-15-24(19-7-3-1-4-8-19)21(25)17-23-13-5-2-6-14-23/h1,3-4,7-12H,2,5-6,13-17H2
InChIKey
CKWXHTIZDIJIFS-UHFFFAOYSA-N
Compound name
N-[2-(4-chlorophenyl)sulfanylethyl]-N-phenyl-2-piperidin-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.1376 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.14488 190.7
[M+Na]+ 411.12682 193.6
[M-H]- 387.13032 198.3
[M+NH4]+ 406.17142 201.5
[M+K]+ 427.10076 187.3
[M+H-H2O]+ 371.13486 180.8
[M+HCOO]- 433.13580 199.8
[M+CH3COO]- 447.15145 198.6
[M+Na-2H]- 409.11227 189.8
[M]+ 388.13705 191.2
[M]- 388.13815 191.2
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.