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 189.1
[M+Na]+ 391.18145 190.9
[M-H]- 367.18495 196.6
[M+NH4]+ 386.22605 199.9
[M+K]+ 407.15539 185.9
[M+H-H2O]+ 351.18949 178.5
[M+HCOO]- 413.19043 202.4
[M+CH3COO]- 427.20608 219.7
[M+Na-2H]- 389.16690 188.1
[M]+ 368.19168 187.6
[M]- 368.19278 187.6
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

patents stripe