CID 3062403

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

Structural Information

Molecular Formula
C14H19NO2S
SMILES
CCCOC1=CC2=C(C=C1)C(SC2=O)CN(C)C
InChI
InChI=1S/C14H19NO2S/c1-4-7-17-10-5-6-11-12(8-10)14(16)18-13(11)9-15(2)3/h5-6,8,13H,4,7,9H2,1-3H3
InChIKey
WEECCOQJDJXNRU-UHFFFAOYSA-N
Compound name
3-[(dimethylamino)methyl]-6-propoxy-3H-2-benzothiophen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.11365 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.12093 160.6
[M+Na]+ 288.10287 168.5
[M-H]- 264.10637 166.6
[M+NH4]+ 283.14747 181.6
[M+K]+ 304.07681 166.0
[M+H-H2O]+ 248.11091 154.7
[M+HCOO]- 310.11185 179.5
[M+CH3COO]- 324.12750 202.7
[M+Na-2H]- 286.08832 160.9
[M]+ 265.11310 166.7
[M]- 265.11420 166.7
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.