CID 3062384

3-(1-piperidinylmethyl)benzo(c)thiophen-1(3h)-one hydrochloride

Structural Information

Molecular Formula
C14H17NOS
SMILES
C1CCN(CC1)CC2C3=CC=CC=C3C(=O)S2
InChI
InChI=1S/C14H17NOS/c16-14-12-7-3-2-6-11(12)13(17-14)10-15-8-4-1-5-9-15/h2-3,6-7,13H,1,4-5,8-10H2
InChIKey
JOCUSSZBUOOHFI-UHFFFAOYSA-N
Compound name
3-(piperidin-1-ylmethyl)-3H-2-benzothiophen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.10309 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.110366 155.5
[M+Na]+ 270.092308 162.2
[M-H]- 246.095814 161.1
[M+NH4]+ 265.136913 174.9
[M+K]+ 286.066248 157.9
[M+H-H2O]+ 230.100350 148.7
[M+HCOO]- 292.101291 169.1
[M+CH3COO]- 306.116941 167.0
[M+Na-2H]- 268.077756 155.7
[M]+ 247.10254142 153.2
[M]- 247.10363858 153.2
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.