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]+ 309.141976 171.1
[M+Na]+ 331.123918 178.5
[M-H]- 307.127424 178.3
[M+NH4]+ 326.168523 186.5
[M+K]+ 347.097858 173.0
[M+H-H2O]+ 291.131960 161.9
[M+HCOO]- 353.132901 188.7
[M+CH3COO]- 367.148551 182.2
[M+Na-2H]- 329.109366 175.5
[M]+ 308.13415142 174.7
[M]- 308.13524858 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.