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 192.9
[M+Na]+ 405.19712 193.4
[M-H]- 381.20062 199.8
[M+NH4]+ 400.24172 202.7
[M+K]+ 421.17106 188.1
[M+H-H2O]+ 365.20516 181.9
[M+HCOO]- 427.20610 205.9
[M+CH3COO]- 441.22175 221.4
[M+Na-2H]- 403.18257 192.1
[M]+ 382.20735 191.3
[M]- 382.20845 191.3
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.