CID 24842559

Nm-591

Structural Information

Molecular Formula
C23H30N2OS
SMILES
C1CCN(CC1)CCCC(=O)N(CCSC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C23H30N2OS/c26-23(15-10-18-24-16-8-3-9-17-24)25(21-11-4-1-5-12-21)19-20-27-22-13-6-2-7-14-22/h1-2,4-7,11-14H,3,8-10,15-20H2
InChIKey
ATMJXTUENIUGBD-UHFFFAOYSA-N
Compound name
N-phenyl-N-(2-phenylsulfanylethyl)-4-piperidin-1-ylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.2079 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.21518 191.9
[M+Na]+ 405.19712 203.6
[M+NH4]+ 400.24172 200.3
[M+K]+ 421.17106 192.5
[M-H]- 381.20062 198.8
[M+Na-2H]- 403.18257 201.1
[M]+ 382.20735 196.0
[M]- 382.20845 196.0
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.