CID 210468

21263-23-0

Structural Information

Molecular Formula
C20H26N2O2S
SMILES
COC(CN1CCN(CC1)CCC(=O)C2=CC=CS2)C3=CC=CC=C3
InChI
InChI=1S/C20H26N2O2S/c1-24-19(17-6-3-2-4-7-17)16-22-13-11-21(12-14-22)10-9-18(23)20-8-5-15-25-20/h2-8,15,19H,9-14,16H2,1H3
InChIKey
RACWQRMPRDQGKS-UHFFFAOYSA-N
Compound name
3-[4-(2-methoxy-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

358.1715 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.178776 186.5
[M+Na]+ 381.160718 189.6
[M-H]- 357.164224 192.2
[M+NH4]+ 376.205323 198.0
[M+K]+ 397.134658 185.2
[M+H-H2O]+ 341.168760 176.8
[M+HCOO]- 403.169701 197.9
[M+CH3COO]- 417.185351 211.5
[M+Na-2H]- 379.146166 182.7
[M]+ 358.17095142 186.4
[M]- 358.17204858 186.4
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.