CID 3062413

3-((dimethylamino)methyl)-3-propylbenzo(c)thiophen-1(3h)-one hydrochloride

Structural Information

Molecular Formula
C14H19NOS
SMILES
CCCC1(C2=CC=CC=C2C(=O)S1)CN(C)C
InChI
InChI=1S/C14H19NOS/c1-4-9-14(10-15(2)3)12-8-6-5-7-11(12)13(16)17-14/h5-8H,4,9-10H2,1-3H3
InChIKey
HDORITZEMNWDTQ-UHFFFAOYSA-N
Compound name
3-[(dimethylamino)methyl]-3-propyl-2-benzothiophen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.11873 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.12601 157.4
[M+Na]+ 272.10795 168.1
[M+NH4]+ 267.15255 168.4
[M+K]+ 288.08189 158.8
[M-H]- 248.11145 160.7
[M+Na-2H]- 270.09340 163.5
[M]+ 249.11818 160.5
[M]- 249.11928 160.5
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.