CID 357523

97633-91-5

Structural Information

Molecular Formula
C19H20N2S
SMILES
CN(C)CCSC1=NC2=CC=CC=C2C(=C1)C3=CC=CC=C3
InChI
InChI=1S/C19H20N2S/c1-21(2)12-13-22-19-14-17(15-8-4-3-5-9-15)16-10-6-7-11-18(16)20-19/h3-11,14H,12-13H2,1-2H3
InChIKey
LAZZHULLLYZHHU-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-(4-phenylquinolin-2-yl)sulfanylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.