CID 968691

130820-22-3

Structural Information

Molecular Formula
C22H28N2OS
SMILES
CSCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C22H28N2OS/c1-26-18-22(25)24(20-10-6-3-7-11-20)21-13-16-23(17-14-21)15-12-19-8-4-2-5-9-19/h2-11,21H,12-18H2,1H3
InChIKey
QNAQGVPVIBDJFC-UHFFFAOYSA-N
Compound name
2-methylsulfanyl-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.19223 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.19951 187.8
[M+Na]+ 391.18145 200.1
[M+NH4]+ 386.22605 196.4
[M+K]+ 407.15539 189.4
[M-H]- 367.18495 194.8
[M+Na-2H]- 389.16690 197.0
[M]+ 368.19168 192.0
[M]- 368.19278 192.0
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.