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]+ 355.18385 184.5
[M+Na]+ 377.16579 185.9
[M-H]- 353.16929 191.8
[M+NH4]+ 372.21039 195.5
[M+K]+ 393.13973 181.0
[M+H-H2O]+ 337.17383 173.9
[M+HCOO]- 399.17477 198.2
[M+CH3COO]- 413.19042 215.6
[M+Na-2H]- 375.15124 184.7
[M]+ 354.17602 182.3
[M]- 354.17712 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.