CID 3077474

134478-61-8

Structural Information

Molecular Formula
C14H17NOS2
SMILES
CN(C)CC1=C(C=CS1)SC2=CC=CC(=C2)OC
InChI
InChI=1S/C14H17NOS2/c1-15(2)10-14-13(7-8-17-14)18-12-6-4-5-11(9-12)16-3/h4-9H,10H2,1-3H3
InChIKey
AJJKDWDXVPLKSV-UHFFFAOYSA-N
Compound name
1-[3-(3-methoxyphenyl)sulfanylthiophen-2-yl]-N,N-dimethylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.07516 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.08244 161.0
[M+Na]+ 302.06438 172.7
[M+NH4]+ 297.10898 171.0
[M+K]+ 318.03832 163.3
[M-H]- 278.06788 166.6
[M+Na-2H]- 300.04983 168.1
[M]+ 279.07461 165.3
[M]- 279.07571 165.3
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.