CID 42469

3-piperidinol, 1-ethyl-, o-ester with diphenylthioacetate, hydrochloride

Structural Information

Molecular Formula
C21H25NOS
SMILES
CCN1CCCC(C1)OC(=S)C(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H25NOS/c1-2-22-15-9-14-19(16-22)23-21(24)20(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19-20H,2,9,14-16H2,1H3
InChIKey
UIYWUVBBHRMLOL-UHFFFAOYSA-N
Compound name
O-(1-ethylpiperidin-3-yl) 2,2-diphenylethanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.16568 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.17296 180.1
[M+Na]+ 362.15490 193.4
[M+NH4]+ 357.19950 189.1
[M+K]+ 378.12884 182.7
[M-H]- 338.15840 186.5
[M+Na-2H]- 360.14035 189.2
[M]+ 339.16513 184.4
[M]- 339.16623 184.4
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.