CID 3046049

1-butanone, 1-benzo(b)thien-2-yl-4-(1-piperidinyl)-, hydrochloride

Structural Information

Molecular Formula
C17H21NOS
SMILES
C1CCN(CC1)CCCC(=O)C2=CC3=CC=CC=C3S2
InChI
InChI=1S/C17H21NOS/c19-15(8-6-12-18-10-4-1-5-11-18)17-13-14-7-2-3-9-16(14)20-17/h2-3,7,9,13H,1,4-6,8,10-12H2
InChIKey
FDRUXPHOECHQIX-UHFFFAOYSA-N
Compound name
1-(1-benzothiophen-2-yl)-4-piperidin-1-ylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.1344 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.14168 167.1
[M+Na]+ 310.12362 173.2
[M-H]- 286.12712 172.6
[M+NH4]+ 305.16822 184.6
[M+K]+ 326.09756 168.2
[M+H-H2O]+ 270.13166 159.5
[M+HCOO]- 332.13260 181.5
[M+CH3COO]- 346.14825 177.8
[M+Na-2H]- 308.10907 167.2
[M]+ 287.13385 167.5
[M]- 287.13495 167.5
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.