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]+ 288.141676 167.1
[M+Na]+ 310.123618 173.2
[M-H]- 286.127124 172.6
[M+NH4]+ 305.168223 184.6
[M+K]+ 326.097558 168.2
[M+H-H2O]+ 270.131660 159.5
[M+HCOO]- 332.132601 181.5
[M+CH3COO]- 346.148251 177.8
[M+Na-2H]- 308.109066 167.2
[M]+ 287.13385142 167.5
[M]- 287.13494858 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.