CID 3077476

3-thiophenemethanamine, 2-((3-methoxyphenyl)thio)-n,n-dimethyl-, hydrochloride

Structural Information

Molecular Formula
C14H17NOS2
SMILES
CN(C)CC1=C(SC=C1)SC2=CC=CC(=C2)OC
InChI
InChI=1S/C14H17NOS2/c1-15(2)10-11-7-8-17-14(11)18-13-6-4-5-12(9-13)16-3/h4-9H,10H2,1-3H3
InChIKey
IDVSAQQCMHLEKK-UHFFFAOYSA-N
Compound name
1-[2-(3-methoxyphenyl)sulfanylthiophen-3-yl]-N,N-dimethylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.07516 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.08244 161.9
[M+Na]+ 302.06438 170.4
[M-H]- 278.06788 170.3
[M+NH4]+ 297.10898 181.3
[M+K]+ 318.03832 166.3
[M+H-H2O]+ 262.07242 155.2
[M+HCOO]- 324.07336 178.0
[M+CH3COO]- 338.08901 202.6
[M+Na-2H]- 300.04983 161.0
[M]+ 279.07461 167.9
[M]- 279.07571 167.9
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.