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]+ 316.172956 176.5
[M+Na]+ 338.154898 181.7
[M-H]- 314.158404 183.9
[M+NH4]+ 333.199503 191.9
[M+K]+ 354.128838 178.0
[M+H-H2O]+ 298.162940 168.1
[M+HCOO]- 360.163881 194.2
[M+CH3COO]- 374.179531 212.4
[M+Na-2H]- 336.140346 178.8
[M]+ 315.16513142 181.3
[M]- 315.16622858 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.