CID 3046060

1-butanone, 1-benzo(b)thien-3-yl-4-(1-piperidinyl)-, hydrobromide

Structural Information

Molecular Formula
C17H21NOS
SMILES
C1CCN(CC1)CCCC(=O)C2=CSC3=CC=CC=C32
InChI
InChI=1S/C17H21NOS/c19-16(8-6-12-18-10-4-1-5-11-18)15-13-20-17-9-3-2-7-14(15)17/h2-3,7,9,13H,1,4-6,8,10-12H2
InChIKey
XHZLRANNVQQTBC-UHFFFAOYSA-N
Compound name
1-(1-benzothiophen-3-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

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.14168 165.9
[M+Na]+ 310.12362 178.3
[M+NH4]+ 305.16822 175.5
[M+K]+ 326.09756 169.6
[M-H]- 286.12712 170.2
[M+Na-2H]- 308.10907 172.4
[M]+ 287.13385 169.4
[M]- 287.13495 169.4
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.