CID 23795

Benzo(b)thien-3-yl piperidinomethyl ketone hydrochloride

Structural Information

Molecular Formula
C15H17NOS
SMILES
C1CCN(CC1)CC(=O)C2=CSC3=CC=CC=C32
InChI
InChI=1S/C15H17NOS/c17-14(10-16-8-4-1-5-9-16)13-11-18-15-7-3-2-6-12(13)15/h2-3,6-7,11H,1,4-5,8-10H2
InChIKey
ZFJITIDKLORILB-UHFFFAOYSA-N
Compound name
1-(1-benzothiophen-3-yl)-2-piperidin-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.1031 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.11038 157.1
[M+Na]+ 282.09232 169.9
[M+NH4]+ 277.13692 167.1
[M+K]+ 298.06626 161.7
[M-H]- 258.09582 161.5
[M+Na-2H]- 280.07777 164.1
[M]+ 259.10255 160.7
[M]- 259.10365 160.7
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.