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 158.2
[M+Na]+ 282.09232 165.3
[M-H]- 258.09582 164.1
[M+NH4]+ 277.13692 176.9
[M+K]+ 298.06626 160.7
[M+H-H2O]+ 242.10036 151.1
[M+HCOO]- 304.10130 173.3
[M+CH3COO]- 318.11695 169.8
[M+Na-2H]- 280.07777 159.4
[M]+ 259.10255 158.0
[M]- 259.10365 158.0
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.