CID 210492

21263-36-5

Structural Information

Molecular Formula
C23H32N2O2S
SMILES
CC(C)(C)OC(CC1=CC=CC=C1)N2CCN(CC2)CCC(=O)C3=CC=CS3
InChI
InChI=1S/C23H32N2O2S/c1-23(2,3)27-22(18-19-8-5-4-6-9-19)25-15-13-24(14-16-25)12-11-20(26)21-10-7-17-28-21/h4-10,17,22H,11-16,18H2,1-3H3
InChIKey
SSWQFDWXIKIQGH-UHFFFAOYSA-N
Compound name
3-[4-[1-[(2-methylpropan-2-yl)oxy]-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

400.21844 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.22572 197.5
[M+Na]+ 423.20766 207.2
[M+NH4]+ 418.25226 204.1
[M+K]+ 439.18160 200.5
[M-H]- 399.21116 200.9
[M+Na-2H]- 421.19311 203.4
[M]+ 400.21789 200.2
[M]- 400.21899 200.2
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.