CID 122265

85273-95-6

Structural Information

Molecular Formula
C19H20N2S
SMILES
CN(C)CCSC1=NC2=CC=CC=C2C=C1C3=CC=CC=C3
InChI
InChI=1S/C19H20N2S/c1-21(2)12-13-22-19-17(15-8-4-3-5-9-15)14-16-10-6-7-11-18(16)20-19/h3-11,14H,12-13H2,1-2H3
InChIKey
HYOLQGVNMQNERE-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-(3-phenylquinolin-2-yl)sulfanylethanamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

32
References

244
Patents

308.1347 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.14198 170.7
[M+Na]+ 331.12392 186.7
[M+NH4]+ 326.16852 181.1
[M+K]+ 347.09786 174.7
[M-H]- 307.12742 177.9
[M+Na-2H]- 329.10937 181.2
[M]+ 308.13415 175.9
[M]- 308.13525 175.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe