CID 3065792

2-thenylamine, alpha-benzyl-n,n-dimethyl-, hydrochloride

Structural Information

Molecular Formula
C14H17NS
SMILES
CN(CCC1=CC=CC=C1)CC2=CC=CS2
InChI
InChI=1S/C14H17NS/c1-15(12-14-8-5-11-16-14)10-9-13-6-3-2-4-7-13/h2-8,11H,9-10,12H2,1H3
InChIKey
HVBKYXKRJNHODQ-UHFFFAOYSA-N
Compound name
N-methyl-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.10817 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.11545 152.8
[M+Na]+ 254.09739 165.1
[M+NH4]+ 249.14199 163.2
[M+K]+ 270.07133 156.5
[M-H]- 230.10089 158.8
[M+Na-2H]- 252.08284 161.8
[M]+ 231.10762 156.8
[M]- 231.10872 156.8
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.