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]+ 232.115446 153.1
[M+Na]+ 254.097388 159.8
[M-H]- 230.100894 161.2
[M+NH4]+ 249.141993 173.7
[M+K]+ 270.071328 156.5
[M+H-H2O]+ 214.105430 145.9
[M+HCOO]- 276.106371 174.8
[M+CH3COO]- 290.122021 194.1
[M+Na-2H]- 252.082836 155.2
[M]+ 231.10762142 156.0
[M]- 231.10871858 156.0
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.