CID 211102

22261-67-2

Structural Information

Molecular Formula
C24H34N2O2S
SMILES
CC(C)CCOC(CN1CCN(CC1)CCC(=O)C2=CC=CS2)C3=CC=CC=C3
InChI
InChI=1S/C24H34N2O2S/c1-20(2)11-17-28-23(21-7-4-3-5-8-21)19-26-15-13-25(14-16-26)12-10-22(27)24-9-6-18-29-24/h3-9,18,20,23H,10-17,19H2,1-2H3
InChIKey
SAIMFRPVONINIA-UHFFFAOYSA-N
Compound name
3-[4-[2-(3-methylbutoxy)-2-phenylethyl]piperazin-1-yl]-1-thiophen-2-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.2341 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.24138 201.0
[M+Na]+ 437.22332 210.4
[M+NH4]+ 432.26792 207.5
[M+K]+ 453.19726 203.1
[M-H]- 413.22682 204.7
[M+Na-2H]- 435.20877 206.3
[M]+ 414.23355 203.6
[M]- 414.23465 203.6
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

No patent data available for this compound.