CID 36064

Ethylamine, n,n-dimethyl-2-((alpha-methyl-o-(methylthio)-alpha-phenylbenzyl)oxy)-, hydrochloride

Structural Information

Molecular Formula
C19H25NOS
SMILES
CC(C1=CC=CC=C1)(C2=CC=CC=C2SC)OCCN(C)C
InChI
InChI=1S/C19H25NOS/c1-19(21-15-14-20(2)3,16-10-6-5-7-11-16)17-12-8-9-13-18(17)22-4/h5-13H,14-15H2,1-4H3
InChIKey
UDOSQUQCNFEGOG-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-[1-(2-methylsulfanylphenyl)-1-phenylethoxy]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.16568 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.17296 176.5
[M+Na]+ 338.15490 181.7
[M-H]- 314.15840 183.9
[M+NH4]+ 333.19950 191.9
[M+K]+ 354.12884 178.0
[M+H-H2O]+ 298.16294 168.1
[M+HCOO]- 360.16388 194.2
[M+CH3COO]- 374.17953 212.4
[M+Na-2H]- 336.14035 178.8
[M]+ 315.16513 181.3
[M]- 315.16623 181.3
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.