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]+ 401.225716 199.9
[M+Na]+ 423.207658 202.1
[M-H]- 399.211164 205.4
[M+NH4]+ 418.252263 209.8
[M+K]+ 439.181598 197.6
[M+H-H2O]+ 383.215700 190.4
[M+HCOO]- 445.216641 208.8
[M+CH3COO]- 459.232291 220.0
[M+Na-2H]- 421.193106 195.7
[M]+ 400.21789142 200.3
[M]- 400.21898858 200.3
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.