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

14
Patents

338.1453 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.152576 179.6
[M+Na]+ 361.134518 187.2
[M-H]- 337.138024 186.9
[M+NH4]+ 356.179123 194.0
[M+K]+ 377.108458 182.1
[M+H-H2O]+ 321.142560 170.2
[M+HCOO]- 383.143501 197.0
[M+CH3COO]- 397.159151 190.4
[M+Na-2H]- 359.119966 182.9
[M]+ 338.14475142 185.3
[M]- 338.14584858 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