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]+ 248.11037 155.5
[M+Na]+ 270.09231 162.2
[M-H]- 246.09581 161.1
[M+NH4]+ 265.13691 174.9
[M+K]+ 286.06625 157.9
[M+H-H2O]+ 230.10035 148.7
[M+HCOO]- 292.10129 169.1
[M+CH3COO]- 306.11694 167.0
[M+Na-2H]- 268.07776 155.7
[M]+ 247.10254 153.2
[M]- 247.10364 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.