CID 3062393

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

Structural Information

Molecular Formula
C13H18N2OS
SMILES
CN(C)CC1C2=C(C=C(C=C2)N(C)C)C(=O)S1
InChI
InChI=1S/C13H18N2OS/c1-14(2)8-12-10-6-5-9(15(3)4)7-11(10)13(16)17-12/h5-7,12H,8H2,1-4H3
InChIKey
KSUYKUUOLSTZNL-UHFFFAOYSA-N
Compound name
6-(dimethylamino)-3-[(dimethylamino)methyl]-3H-2-benzothiophen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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References

0
Patents

250.11398 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.12126 157.2
[M+Na]+ 273.10320 167.1
[M+NH4]+ 268.14780 166.5
[M+K]+ 289.07714 160.9
[M-H]- 249.10670 161.1
[M+Na-2H]- 271.08865 161.6
[M]+ 250.11343 160.1
[M]- 250.11453 160.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.