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 171.1
[M+Na]+ 331.12392 178.5
[M-H]- 307.12742 178.3
[M+NH4]+ 326.16852 186.5
[M+K]+ 347.09786 173.0
[M+H-H2O]+ 291.13196 161.9
[M+HCOO]- 353.13290 188.7
[M+CH3COO]- 367.14855 182.2
[M+Na-2H]- 329.10937 175.5
[M]+ 308.13415 174.7
[M]- 308.13525 174.7
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.