CID 24842776

Nm-593

Structural Information

Molecular Formula
C22H28N2OS
SMILES
C1CCN(CC1)CCC(=O)N(CCSC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C22H28N2OS/c25-22(14-17-23-15-8-3-9-16-23)24(20-10-4-1-5-11-20)18-19-26-21-12-6-2-7-13-21/h1-2,4-7,10-13H,3,8-9,14-19H2
InChIKey
MXSXCORCRDJWRD-UHFFFAOYSA-N
Compound name
N-phenyl-N-(2-phenylsulfanylethyl)-3-piperidin-1-ylpropanamide
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 188.7
[M+Na]+ 391.18145 189.6
[M-H]- 367.18495 195.8
[M+NH4]+ 386.22605 199.1
[M+K]+ 407.15539 184.5
[M+H-H2O]+ 351.18949 177.9
[M+HCOO]- 413.19043 202.1
[M+CH3COO]- 427.20608 218.5
[M+Na-2H]- 389.16690 188.4
[M]+ 368.19168 186.8
[M]- 368.19278 186.8
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.