CID 3062392

3-((dimethylamino)methyl)-6-methoxybenzo(c)thiophen-1(3h)-one hydrochloride

Structural Information

Molecular Formula
C12H15NO2S
SMILES
CN(C)CC1C2=C(C=C(C=C2)OC)C(=O)S1
InChI
InChI=1S/C12H15NO2S/c1-13(2)7-11-9-5-4-8(15-3)6-10(9)12(14)16-11/h4-6,11H,7H2,1-3H3
InChIKey
VOZGRYNGOKXLPJ-UHFFFAOYSA-N
Compound name
3-[(dimethylamino)methyl]-6-methoxy-3H-2-benzothiophen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.08235 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.08963 152.2
[M+Na]+ 260.07157 163.0
[M+NH4]+ 255.11617 161.5
[M+K]+ 276.04551 156.6
[M-H]- 236.07507 155.1
[M+Na-2H]- 258.05702 156.4
[M]+ 237.08180 154.9
[M]- 237.08290 154.9
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.