CID 3069817

Ethanamine, n,n-dimethyl-2-((3-(2-methoxyphenyl)-2-quinolinyl)thio)-, monohydrochloride

Structural Information

Molecular Formula
C20H22N2OS
SMILES
CN(C)CCSC1=NC2=CC=CC=C2C=C1C3=CC=CC=C3OC
InChI
InChI=1S/C20H22N2OS/c1-22(2)12-13-24-20-17(16-9-5-7-11-19(16)23-3)14-15-8-4-6-10-18(15)21-20/h4-11,14H,12-13H2,1-3H3
InChIKey
ZUGSZYLRCNAKOS-UHFFFAOYSA-N
Compound name
2-[3-(2-methoxyphenyl)quinolin-2-yl]sulfanyl-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

17
Patents

338.1453 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.15258 179.6
[M+Na]+ 361.13452 187.2
[M-H]- 337.13802 186.9
[M+NH4]+ 356.17912 194.0
[M+K]+ 377.10846 182.1
[M+H-H2O]+ 321.14256 170.2
[M+HCOO]- 383.14350 197.0
[M+CH3COO]- 397.15915 190.4
[M+Na-2H]- 359.11997 182.9
[M]+ 338.14475 185.3
[M]- 338.14585 185.3
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

patents stripe